Glycoside
GD153130
Name:
2-amino-3-(4-oxo-3-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1,4-dihydropyridin-1-yl)propanoic acidFormula:
C14H20O9N2Smiles:
NC(Cn1ccc(=O)c(OC2C(CO)OC(O)C(O)C2O)c1)C(=O)OAglycone:
NC(Cn1ccc(=O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.32 | Num_heavy_atoms: | 25 |
| TPSA: | 184.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD60931
Formula: C8H10O4N2
Smiles:
NC(Cn1ccc(=O)c(O)c1)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.18 | Num_heavy_atoms: | 14 |
| TPSA: | 105.55 | NumAromaticRings: | 1 |
