TPCN05039

Name Compound 3
Molecular Formula C43H66O15
Molecular Weight 822.99
CAS Registry Number 178248-97-0
SMILES COC(=O)C1=CC(O)C(O)C(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)CO)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sabiaceae Meliosma lanceolata Barks 0.001059% Phytochemistry 42, 809-814 (1996) 10.1016/0031-9422(96)00003-9
Properties
HBA 15 HBD 8
HeavyAtoms 58 AlogP 1.59
TPSA 242.13 RotatableBonds 7
FractionCSP3 0.86 Rings 7
AromaticRings 0 AliphaticRings 7