Glycoside
GD136479
Name:
2-amino-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C15H21O9NSmiles:
NC(Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)C(=O)OAglycone:
NC(Cc1ccc(O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.33 | Num_heavy_atoms: | 25 |
| TPSA: | 182.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD55170
Formula: C9H11O4N
Smiles:
NC(Cc1ccc(O)c(O)c1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.19 | Num_heavy_atoms: | 14 |
| TPSA: | 103.78 | NumAromaticRings: | 1 |
