TPCN05073

Name Gummiferaosides B
Molecular Formula C102H162O48
Molecular Weight 2156.37
CAS Registry Number 930579-66-1
SMILES C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia gummifera Roots 0.000696% J Nat Prod 70, 361-366 (2007) 10.1021/np060506g
Properties
HBA 48 HBD 25
HeavyAtoms 150 AlogP -5.16
TPSA 741.56 RotatableBonds 33
FractionCSP3 0.87 Rings 14
AromaticRings 0 AliphaticRings 14