Glycoside
GD114447
Name:
10-O-Cis-P-Coumaroyldesacetyl Asperulosidic AcidFormula:
C25H28O13Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45062
Formula: C19H18O8
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
