TPCN05136

Name Compound 1
Molecular Formula C59H94O27
Molecular Weight 1235.37
CAS Registry Number 1627583-96-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4=C6C(=O)C(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Elaeagnaceae Hippophae rhamnoides Seeds 0.000292% J Asian Nat Prod Res 16, 231-239 (2014) 10.1080/10286020.2013.879383
Properties
HBA 27 HBD 15
HeavyAtoms 86 AlogP -3.22
TPSA 429.89 RotatableBonds 13
FractionCSP3 0.93 Rings 10
AromaticRings 0 AliphaticRings 10