TPCN05086

Name Compound 4
Molecular Formula C49H78O21
Molecular Weight 1003.14
CAS Registry Number 178248-98-1
SMILES COC(=O)C1OC(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)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sabiaceae Meliosma lanceolata Barks 0.000588% Phytochemistry 42, 809-814 (1996) 10.1016/0031-9422(96)00003-9
Properties
HBA 21 HBD 12
HeavyAtoms 70 AlogP -1.74
TPSA 341.51 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8