hederagenin-28-O-β-D-glucoside

Chemical Formula:

C₃₆H₅₈O₉

Molecular Weight:

634.849 Daltons

Monoisotopic Mass:

634.4080834607 Daltons

SMILES:

CC5(CCC4(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C(CO)(C)3)O)C))C))[CH]4C5)C)C(=O)OC6(C(C(C(C(O6)CO)O)O)O))C

InChI:

1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1

InChIKey:

WJMMBVSOQPALFO-DLQTVUGOSA-N

Synonyms

hederagenin-28-O-B-glucoside
28-Glc-hederagenin

Databases

MetaCyc: CPD-9488

PubChem (CID): 25203217 21120798

Seed: cpd25705

MetaNetX: MNXM55959

ChEBI: 67947