MetaADEDB 2.0 @ LMMD
notoginsenoside R1
(LLPWNQMSUYAGQI-OOSPGMBYSA-N)
Structure
SMILES
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Molecular Formula:
C47H80O18
Molecular Weight:
933.127
Log P:
-0.4169
Hydrogen Bond Acceptor:
18
Hydrogen Bond Donor:
12
TPSA:
298.14
CAS Number(s):
80418-24-2
Synonym(s)
1.
notoginsenoside R1
2.
notoginsenoside R 1
3.
sanchinoside R1
External Link(s)
MeSHC072936
PubChem Compound441934
ChEBI77149
CHEMBLCHEMBL507115
KEGGcpd:C08961
ZINC238809173
Adverse Drug Event(s)
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