TPCN06245

Name Robinioside I
Molecular Formula C59H96O28
Molecular Weight 1253.39
CAS Registry Number 149664-97-1
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(COC8OC(COC9OCC(O)(CO)C9O)C(O)C(O)C8O)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Wisteria villosa Stems 0.000120% Chem Pharm Bull (Tokyo) . 1995 Apr;43(4):636-40 10.1248/cpb.43.636
Properties
HBA 28 HBD 17
HeavyAtoms 87 AlogP -4.03
TPSA 453.28 RotatableBonds 16
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10