Glycoside
GD147642
Name:
3-(1H-imidazol-4-yl)-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acidFormula:
C12H19O7N3Smiles:
O=C(O)C(Cc1cnc[nH]1)NCC1(O)OC(CO)C(O)C1OAglycone:
CNC(Cc1cnc[nH]1)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 317.3 | Num_heavy_atoms: | 22 |
| TPSA: | 168.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD59118
Formula: C7H11O2N3
Smiles:
CNC(Cc1cnc[nH]1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.01 | NumAromaticRings: | 1 |
