Thevebioside

Molecular Formula: C36H56O13


InChI: InChI=1/C36H56O13/c1-17-26(38)28(40)31(32(42)47-17)46-16-24-27(39)30(44-4)29(41)33(49-24)48-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(37)45-15-18/h13,17,19-24,26-33,38-43H,5-12,14-16H2,1-4H3/t17u,19-,20+,21-,22u,23u,24u,26-,27-,28?,29?,30?,31?,32-,33+,34+,35-,36+/m1/s1

InChIKey: InChIKey=RHERCAMWDSQFOH-NCTUAWNZBK
SMILES: CC1C(C(C(C(O1)O)OCC2C(C(C(C(O2)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)O)OC)O)O)O

Names:
    BRN 1278824
    Thevebioside
    Thevebiosid [German]
    33279-55-9
    4-[(3S,5R,10S,13R,14S,17S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-[[(2R,5S)-2,4,5-trihydroxy-6-methyl-oxan-3-yl]oxymethyl]oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
    5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-
    5-beta-CARD-20(22)-ENOLIDE, 3-beta-((6-DEOXY-2-O-beta-D-GLUCOPYRANOSYL-3-O-METHY

Registries:
    PubChem CID 36397
    PubChem ID 177907