hederagenin-3-O-β-D-glucoside

Chemical Formula:

C₃₆H₅₇O₉

Molecular Weight:

633.841 Daltons

Monoisotopic Mass:

634.4080834607 Daltons

SMILES:

CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C(CO)(C)3)OC4(C(C(C(C(O4)CO)O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C

InChI:

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

InChIKey:

CCDRPBGPIXPGRW-DLQTVUGOSA-M

Synonyms

3-Glc-hederagenin

Databases

MetaCyc: CPD-9484

PubChem (CID): 25244835 134820073

Seed: cpd25702

MetaNetX: MNXM55960