TPCN05594

Name Camelliasaponin B2
Molecular Formula C58H90O26
Molecular Weight 1203.33
CAS Registry Number 156317-50-9
SMILES CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia oleifera Seeds 0.000099% Seed Pomace. Molecules. 2017. 22. 10.3390/molecules22101562.
Properties
HBA 26 HBD 14
HeavyAtoms 84 AlogP -2.19
TPSA 417.50 RotatableBonds 15
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9