TPCN04492

Name Sasanquasaponin IV
Molecular Formula C59H94O26
Molecular Weight 1219.38
CAS Registry Number 1352170-44-5
SMILES CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia sasanqua Buds 0.000450% Chem Pharm Bull (Tokyo) 58(12): 1617-1621. 10.1248/cpb.58.1617
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.01
TPSA 420.66 RotatableBonds 14
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9