Glycoside
GD002127
Name:
2-amino-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C15H21O8NSmiles:
N[C@H](Cc1ccc(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OAglycone:
NC(Cc1ccc(O)cc1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 343.33 | Num_heavy_atoms: | 24 |
| TPSA: | 162.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD02060
Formula: C9H11O3N
Smiles:
NC(Cc1ccc(O)cc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 83.55 | NumAromaticRings: | 1 |
