TPCN05705

Name 23-O-acetylmadecassoside;Asiaticoside C
Molecular Formula C50H80O20
Molecular Weight 1001.17
CAS Registry Number 425664-06-8
SMILES CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Centella asiatica Leaves 0.004889% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Apiaceae Centella asiatica Leaves 0.000744% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Properties
HBA 20 HBD 11
HeavyAtoms 70 AlogP -0.46
TPSA 321.28 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8