Glycoside
GD120306
Name:
6-{[2-carbamoyl-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H19O11NSmiles:
NC(=O)c1oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc2c(=O)c1-c1ccc(O)cc1Aglycone:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.39 | Num_heavy_atoms: | 34 |
| TPSA: | 209.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD46349
Formula: C16H11O5N
Smiles:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.27 | Num_heavy_atoms: | 22 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
