TPCN05117

Name Saponin 2;Mi-saponin A
Molecular Formula C58H94O27
Molecular Weight 1223.36
CAS Registry Number 54328-42-6
SMILES CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Mimusops elengi Seeds 0.005000% Phytochemistry. 1996 Feb;41(3):883-6. 10.1016/0031-9422(95)00690-7.
Sapotaceae Argania spinosa Seeds 0.000375% J Agric Food Chem 50, 4600-4603 (2002) 10.1021/jf0200117
Properties
HBA 27 HBD 16
HeavyAtoms 85 AlogP -3.96
TPSA 433.05 RotatableBonds 12
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10