MetaADEDB 2.0 @ LMMD
soyasaponin Ab
(YZNCIXVBVQRGQN-YUTHWCJWSA-N)
Structure
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)[C@H]([C@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Molecular Formula:
C67H104O33
Molecular Weight:
1437.520
Log P:
-2.7815
Hydrogen Bond Acceptor:
33
Hydrogen Bond Donor:
14
TPSA:
497.79
CAS Number(s):
118194-13-1
Synonym(s)
1.
soyasaponin Ab
External Link(s)
MeSHC551307
PubChem Compound102004833
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Colitis22060784CTD
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