TPCN05096

Name Saponin 1
Molecular Formula C64H104O32
Molecular Weight 1385.50
CAS Registry Number 171674-86-5
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(OC%10OC(CO)C(O)C(O)C%10O)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 Argania spinosa Seeds 0.000500% J Agric Food Chem 50, 4600-4603 (2002) 10.1021/jf0200117
Properties
HBA 32 HBD 19
HeavyAtoms 96 AlogP -6.14
TPSA 512.20 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11