TPCN04729

Name Steganogenin 3-O-??-L-rhamnopyranosyl-(1 ?? 2)-??-Dglucopyranoside
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 2170742-68-2
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C(CC(C)(C)CCO)C(C(=O)O)=CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Hydrocotyle nepalensis Whole plants 0.000080% Fitoterapia 110: 66-71. 10.1016/j.fitote.2016.02.003
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 3.05
TPSA 215.83 RotatableBonds 10
FractionCSP3 0.88 Rings 6
AromaticRings 0 AliphaticRings 6