Glycoside
GD134782
Name:
6-{[2-carbamoyl-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4-formyl-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C23H19O12NSmiles:
NC(=O)c1oc2cc(OC3OC(C(=O)O)C(O)C(O)(C=O)C3O)ccc2c(=O)c1-c1ccc(O)cc1Aglycone:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=CC1(O)C(O)C(O)OC(C(=O)O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.22 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.4 | Num_heavy_atoms: | 36 |
| TPSA: | 227.05 | 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 |
