TPCN00010

Name 3''-O-glucosylsenburiside II
Molecular Formula C36H42O19
Molecular Weight 778.71
CAS Registry Number 864270-70-2
SMILES CC1C(OC(=O)c2cccc(OC(=O)c3cccc(OC4OC(CO)C(O)C(O)C4O)c3)c2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Ophiorrhiza liukiuensis Whole plants 0.194966% Chem Pharm Bull (Tokyo), 2005, 53, 1355-1358. 10.1248/cpb.53.1355
Properties
HBA 19 HBD 9
HeavyAtoms 55 AlogP -1.98
TPSA 297.89 RotatableBonds 11
FractionCSP3 0.53 Rings 6
AromaticRings 2 AliphaticRings 4