TPCN05719

Name 16a-hydroxyprotobassic acid
Molecular Formula C69H112O37
Molecular Weight 1533.62
CAS Registry Number 1167567-97-6
SMILES CC1OC(OC2C(OC3OCC(O)C(O)C3O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(COC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Sideroxylon foetidissimum Roots 0.002432% Phytochemistry. 2009 Apr;70(6):765-72. 10.1016/j.phytochem.2009.03.014.
Properties
HBA 37 HBD 22
HeavyAtoms 106 AlogP -8.71
TPSA 591.35 RotatableBonds 17
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12