MetaADEDB 2.0 @ LMMD
soyasaponin I
(PTDAHAWQAGSZDD-IOVCITQVSA-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[C@H]2O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Molecular Formula:
C48H78O18
Molecular Weight:
943.122
Log P:
0.7046
Hydrogen Bond Acceptor:
18
Hydrogen Bond Donor:
11
TPSA:
294.98
CAS Number(s):
51330-27-9
Synonym(s)
1.
soyasaponin I
External Link(s)
MeSHC056684
PubChem Compound122097
ChEBI9211
CHEMBLCHEMBL511016
KEGGcpd:C08983
ZINC238809332
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Colitis20923188CTD
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