Also known as: 37271-16-2, Uq166p8802, (9r)-4-hydroxy-9-[(9r)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracen-9-yl]-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracene-2-carboxylic acid, Sennosid c, 26403-11-2, Sennoside-c

Molecular Formula

C₄₂H₄₀O₁₉

Molecular Weight

848.8 g/mol

InChI Key

ZFWOUNNKSHIAFK-RDAFFBQNSA-N

FDA UNII

UQ166P8802

sennoside c is a natural product found in Senna alexandrina with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1

2.1.3 InChI Key

ZFWOUNNKSHIAFK-RDAFFBQNSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO

2.1.5 Isomeric SMILES

C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO

2.2 Other Identifiers

2.2.1 UNII

UQ166P8802

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Sennoside D

2.3.2 Depositor-Supplied Synonyms

1. 37271-16-2

2. Uq166p8802

3. (9r)-4-hydroxy-9-[(9r)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracen-9-yl]-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracene-2-carboxylic Acid

4. Sennosid C

5. 26403-11-2

6. Sennoside-c

7. Unii-uq166p8802

8. Chebi:80734

9. Akos025287037

10. Zinc169722601

11. N2676

12. C16797

13. 271s162

14. Q-100439

15. Q27149784

16. Sennoside C (constituent Of Senna Leaf And Pods) [dsc]

17. (9,9'-bianthracene)-2-carboxylic Acid, 5,5'-bis(.beta.-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (9r,9'r)-rel-

18. (9,9'-bianthracene)-2-carboxylic Acid, 5,5'-bis(beta-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (r*,r*)-

19. (9r,9'r)-5,5'-bis(beta-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-9,9'-bianthracene-2-carboxylic Acid

2.4 Create Date

2010-07-01

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₄₀O₁₉
Molecular Weight	848.8 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Exact Mass	848.21637904 g/mol
Monoisotopic Mass	848.21637904 g/mol
Topological Polar Surface Area	331 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1580
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Sennoside C

Sennoside C

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

REF. STANDARDS & IMPURITIES

1 Others

Filters