TPCN03750

Name Collinsonidin;3-O-beta-D-glucopyranosyl-(1-->3)-alpha-L-arabinopyranosyl hederagenin
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 116107-25-6
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rosa laevigata Roots 0.000833% Molecules 13, 2229-2237 (2008). 10.3390/molecules13092229
Lardizabalaceae Akebia trifoliata Stems 0.000333% J Asian Nat Prod Res. 2009. 11, 1013-1018. 10.1080/10286020903213439.
Properties
HBA 13 HBD 8
HeavyAtoms 54 AlogP 2.49
TPSA 215.83 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7