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2D Structure
Also known as: 88901-36-4, Zff6z51tur, Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside), Refchem:159318, (2r,3r,4s,5s,6r)-2-(((2r,3s,4s,5r,6r)-6-(((3s,8s,9r,10r,11r,13r,14s,17r)-17-((2r,5r)-5-((2s,3r,4s,5s,6r)-4,5-dihydroxy-3-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxy-6-hydroxy-6-methylheptan-2-yl)-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, Mogroside
Molecular Formula
C60H102O29
Molecular Weight
1287.4  g/mol
InChI Key
GHBNZZJYBXQAHG-KUVSNLSMSA-N
FDA UNII
ZFF6Z51TUR

cucurbitane type sweet triterpene glycoside from fruit of Momordica grosvenori Swingle; RN given refers to (3beta,9beta,10alpha,11alpha,24R-all D)-isomer
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2.1.2 InChI
InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
2.1.3 InChI Key
GHBNZZJYBXQAHG-KUVSNLSMSA-N
2.2 Other Identifiers
2.2.1 UNII
ZFF6Z51TUR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside)

2.3.2 Depositor-Supplied Synonyms

1. 88901-36-4

2. Zff6z51tur

3. Mogrol-3-o-(beta-d-glucopyranosyl (1-6)-beta-d-glucopyranoside)-24-o-((beta-d-glucopyranosyl (1-2))-(beta-d-glucopyranosyl(1-6))-beta-d-glucopyranoside)

4. Refchem:159318

5. (2r,3r,4s,5s,6r)-2-(((2r,3s,4s,5r,6r)-6-(((3s,8s,9r,10r,11r,13r,14s,17r)-17-((2r,5r)-5-((2s,3r,4s,5s,6r)-4,5-dihydroxy-3-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxy-6-hydroxy-6-methylheptan-2-yl)-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

6. Mogroside

7. Mogroside Cento

8. Mfcd00238649

9. Mogroside-v

10. Mogroside V (standard)

11. Unii-zff6z51tur

12. Mogroside V [usp-rs]

13. Orb1304779

14. Schembl4572693

15. Chembl1829228

16. Hy-n0502r

17. Chebi:229959

18. Ghbnzzjybxqahg-kuvsnlsmsa-n

19. Hy-n0502

20. Msk40108

21. S3815

22. Akos037645029

23. Ccg-270667

24. Om09974

25. As-56272

26. Cs-0009025

27. 901m364

28. (1s,4r,9beta,11alpha,24r)-1-{[6-o-(beta-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl Beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->6)]-beta-d-glucopyranoside

29. (3.beta.,9.beta.,10.alpha.,11.alpha.,24r)-3-((6-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-.beta.-d-glucopyranosyl-(1->2)-o-(.beta.-d-glucopyranosyl-(1->6))-.beta.-d-glucopyranoside

30. .beta.-d-glucopyranoside, (3.beta.,9.beta.,10.alpha.,11.alpha.,24r)-3-((6-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-.beta.-d-glucopyranosyl-(1->2)-o-(.beta.-d-glucopyranosyl-(1->6))-

31. Beta-d-glucopyranoside, (3beta,9beta,10alpha,11alpha,24r)-3-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-d-glucopyranosyl-(1-2)-o-(beta-d-glucopyranosyl-(1-6))-

32. Mogrol-3-o-(.beta.-d-glucopyranosyl (1-6)-.beta.-d-glucopyranoside)-24-o-((.beta.-d-glucopyranosyl (1-2))-(.beta.-d-glucopyranosyl(1-6))-.beta.-d-glucopyranoside)

2.4 Create Date
2008-02-29
3 Chemical and Physical Properties
Molecular Weight 1287.4 g/mol
Molecular Formula C60H102O29
XLogP3-3.7
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count29
Rotatable Bond Count20
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area477
Heavy Atom Count89
Formal Charge0
Complexity2360
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1