TPCN05771

Name 23-O-acetylasiaticoside B
Molecular Formula C50H80O21
Molecular Weight 1017.17
CAS Registry Number 1244688-88-7
SMILES CC(=O)OCC1(C)C(O)C(O)CC2(C)C1C(O)CC1(C)C2CC=C2C3CC(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 0.000667% Planta Med. 2010 Jul;76(10):1018-21. 10.1055/s-0029-1240864.
Properties
HBA 21 HBD 12
HeavyAtoms 71 AlogP -1.35
TPSA 341.51 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8