TPCN04310

Name Albizoside A
Molecular Formula C118H186O56
Molecular Weight 2500.73
CAS Registry Number 1137673-11-0
SMILES C=CC(C)(CCC=C(CO)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC3CC4(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OC(C)C(O)C(O)C9OC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(C)(C)C7CCC65C)C4CC3(C)C)C(O)C2O)OC(C)C(O)C1O)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia chinensis Barks 0.001818% J Nat Prod 72(4): 632-639. 10.1021/np800576s
Properties
HBA 56 HBD 29
HeavyAtoms 174 AlogP -6.14
TPSA 867.24 RotatableBonds 44
FractionCSP3 0.85 Rings 15
AromaticRings 0 AliphaticRings 15