TPCN06131

Name Grandibracteoside C
Molecular Formula C79H122N2O37
Molecular Weight 1691.82
CAS Registry Number 860021-39-2
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)c6ccccc6N)CC5(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)CC34C)C2(C)C)OC(COC2OC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia grandibracteata Leaves 0.000650% J Nat Prod . 2005 Jun;68(6):897-903 10.1021/np049576i
Properties
HBA 39 HBD 22
HeavyAtoms 118 AlogP -5.70
TPSA 612.08 RotatableBonds 21
FractionCSP3 0.86 Rings 13
AromaticRings 1 AliphaticRings 12