Bioactive Compound Details

BioIDbio199932
Name3-O-[BETA-DGLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL(1->2)-BETA-DGLUCURONOPYRANOSYL]SOYASAPOGENOL B
ChEMBL IDCHEMBL505590
Molecular FormulaC48H78O19
Molecular Weight959.13
Molecular Weight (Monoisotopic)958.5137
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
InchiInChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46-,47+,48+/m0/s1
Inchi KeyWFRQIKSNAYYUJZ-OEQMWDDXSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities6.0
Np Likeness Score2.28
Records Key['16, soysaponin V']
Records Name['3-O-[beta-Dglucopyranosyl-(1->2)-beta-D-galactopyranosyl(1->2)-beta-Dglucuronopyranosyl]soyasapogenol B']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure