TPCN03685

Name Oblonganoside I
Molecular Formula C41H66O14
Molecular Weight 782.97
CAS Registry Number 930597-90-3
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia sinensis Seeds 0.001200% Chem Pharm Bull (Tokyo), 2007, 55, 57-63. 10.1248/cpb.55.57
Aquifoliaceae Ilex rotunda Barks 0.000250% Fitoterapia. 2015. 101, 19-26. 10.1016/j.fitote.2014.11.007
Properties
HBA 14 HBD 9
HeavyAtoms 55 AlogP 0.90
TPSA 236.06 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7