Glycoside
GD136258
Name:
2-amino-4-{[2-({[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxy}methyl)phenyl]carbamoyl}butanoic acidFormula:
C18H26O8N2Smiles:
CC(O)C(O)(C(=O)OCc1ccccc1N=C(O)CCC(N)C(=O)O)C(C)OAglycone:
Cc1ccccc1N=C(O)CCC(N)C(=O)OSugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 182.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD55070
Formula: C12H16O3N2
Smiles:
Cc1ccccc1N=C(O)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 236.27 | Num_heavy_atoms: | 17 |
| TPSA: | 95.91 | NumAromaticRings: | 1 |
