TPCN05072

Name Gummiferaosides C
Molecular Formula C113H178O50
Molecular Weight 2336.62
CAS Registry Number 930579-67-2
SMILES C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC3CC4(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC65C)C4CC3(C)C)C(O)C2O)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 50 HBD 25
HeavyAtoms 163 AlogP -2.55
TPSA 767.86 RotatableBonds 39
FractionCSP3 0.84 Rings 14
AromaticRings 0 AliphaticRings 14