TPCN05907

Name Sulfapatrinoside I
Molecular Formula C42H68NaO17S
Molecular Weight 900.05
CAS Registry Number 120190-30-9
SMILES CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(COS(=O)(=O)O)C5CCC43C)C2C1C.[Na]
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Patrinia scabiosifolia Seeds 0.080899% Chem Pharm Bull (Tokyo) . 1988 Nov;36(11):4269-74 10.1248/cpb.36.4269
Properties
HBA 17 HBD 9
HeavyAtoms 61 AlogP 0.59
TPSA 279.43 RotatableBonds 9
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7