TPCN03601

Name Floratheasaponins A
Molecular Formula C59H92O26
Molecular Weight 1217.36
CAS Registry Number 865855-20-5
SMILES CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia sinensis Buds 0.001944% Chem Pharm Bull (Tokyo), 2007, 55, 598-605. 10.1248/cpb.55.598
Properties
HBA 26 HBD 13
HeavyAtoms 85 AlogP -1.19
TPSA 406.50 RotatableBonds 14
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9