Glycoside
GD144015
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-(1H-imidazol-4-yl)propanoateFormula:
C18H29O12N3Smiles:
NC(Cc1cnc[nH]1)C(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
NC(Cc1cnc[nH]1)C(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | -5.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 479.44 | Num_heavy_atoms: | 33 |
| TPSA: | 250.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD57768
Formula: C6H9O2N3
Smiles:
NC(Cc1cnc[nH]1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 92.0 | NumAromaticRings: | 1 |
