TPCN05912

Name 3-O-??-D-glucopyranosyl protobassic acid
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 53840-47-4
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5C(O)CC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Sideroxylon cubense Roots 0.063158% Phytochemistry . 1994 Mar;35(4):1013-5 10.1016/s0031-9422(00)90658-7
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.97
TPSA 197.37 RotatableBonds 5
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6