Glycoside
GD146880
Name:
2-amino-4-(2-amino-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxobutanoic acidFormula:
C16H22O9N2Smiles:
Nc1c(OC2OC(CO)C(O)C(O)C2O)cccc1C(=O)CC(N)C(=O)OAglycone:
Nc1c(O)cccc1C(=O)CC(N)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.36 | Num_heavy_atoms: | 27 |
| TPSA: | 205.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD58856
Formula: C10H12O4N2
Smiles:
Nc1c(O)cccc1C(=O)CC(N)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.22 | Num_heavy_atoms: | 16 |
| TPSA: | 126.64 | NumAromaticRings: | 1 |
