Glycoside
GD121324
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-aminobenzoateFormula:
C13H17O7NSmiles:
Nc1ccc(C(=O)OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Nc1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 142.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD04803
Formula: C7H7O2N
Smiles:
Nc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
