TPCN04241

Name 16??,22??-Diacetoxy-13??,28-oxydoolean-28??-ol 3-O-[??-glucopyranosyl-(1''?? 2')][??-glucopyranosyl-(1''' ?? 3')]-??-glucuronopyranoside
Molecular Formula C52H82O23
Molecular Weight 1075.21
CAS Registry Number 1460315-68-7
SMILES CC(=O)OC1CC(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Maesa lanceolata Woods 0.004250% J Asian Nat Prod Res 14(11): 987-1001. 10.1080/10286020.2012.674302
Properties
HBA 23 HBD 11
HeavyAtoms 75 AlogP -0.65
TPSA 356.81 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9