TPCN05112

Name Compound 1
Molecular Formula C49H80O18
Molecular Weight 957.16
CAS Registry Number 55093-86-2
SMILES COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)CC5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Astragalus sinicus Seeds 0.000400% Chem Pharm Bull (Tokyo) 40, 3330-3333 (1992). 10.1248/cpb.40.3330
Properties
HBA 18 HBD 10
HeavyAtoms 67 AlogP 0.79
TPSA 283.98 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8