TPCN05162

Name Compound 3
Molecular Formula C60H96O28
Molecular Weight 1265.40
CAS Registry Number 1627583-98-5
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)OC(CO)C(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 0.000208% J Asian Nat Prod Res 16, 231-239 (2014) 10.1080/10286020.2013.879383
Properties
HBA 28 HBD 16
HeavyAtoms 88 AlogP -3.86
TPSA 450.12 RotatableBonds 14
FractionCSP3 0.93 Rings 10
AromaticRings 0 AliphaticRings 10