Glycoside
GD120403
Name:
3-{[2-({[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxy}methyl)phenyl]carbamoyl}propanoic acidFormula:
C17H23O8NSmiles:
CC(O)C(O)(C(=O)OCc1ccccc1N=C(O)CCC(=O)O)C(C)OAglycone:
Cc1ccccc1N=C(O)CCC(=O)OSugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 369.37 | Num_heavy_atoms: | 26 |
| TPSA: | 156.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD48369
Formula: C11H13O3N
Smiles:
Cc1ccccc1N=C(O)CCC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 69.89 | NumAromaticRings: | 1 |
