Sennoside D
Properties
- Molecular formula
- C42H40O19
- Molar mass
- 848.76 g/mol
- Exact mass
- 848.2164 Da
- logP
- -1.30Crippen estimate
- Polar surface area
- 330.9 Ų
- H-bond donors / acceptors
- 12 / 18
- Rotatable bonds
- 9
Identifiers
CAS number
37271-17-3SMILES
O=C(O)c1cc(O)c2c(c1)C(C1c3cc(CO)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=OInChIKey
ZFWOUNNKSHIAFK-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- [9,9′-Bianthracene]-2-carboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-2′-(hydroxymethyl)-10,10′-dioxo-, (9R,9′S)-rel-
- [9,9′-Bianthracene]-2-carboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-2′-(hydroxymethyl)-10,10′-dioxo-, (R*,S*)-
- Rel-(9R,9′S)-5,5′-Bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-2′-(hydroxymethyl)-10,10′-dioxo[9,9′-bianthracene]-2-carboxylic acid
Work with Sennoside D
Similar compounds
Sennoside B128-57-489 % similar
Sennoside A81-27-689 % similar
Aloe-emodin 8-O-β-D-glucopyranoside33037-46-666 % similar
Barbaloin1415-73-264 % similar
Aloin B28371-16-664 % similar
Barbaloin5133-19-764 % similar
Emodin 8-O-β-D-glucopyranoside23313-21-545 % similar
Emodin 1-O-β-D-glucopyranoside38840-23-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds