Glycoside
GD137795
Name:
methyl 4-{3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxo-3H,4H,9H-imidazo[1,2-a]purin-7-yl}-3-hydroxy-2-[(methoxycarbonyl)amino]butanoateFormula:
C21H28O10N6Smiles:
COC(=O)C(N=C(O)OC)C(O)Cc1c(C)nc2n(C)c3c(ncn3C3OC(CO)C(O)C3O)c(=O)n12Aglycone:
COC(=O)C(N=C(O)OC)C(O)Cc1c(C)nc2n(C)c3c(c(=O)n12)N=C[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.49 | Num_heavy_atoms: | 37 |
| TPSA: | 215.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD55654
Formula: C16H19O6N6
Smiles:
COC(=O)C(N=C(O)OC)C(O)Cc1c(C)nc2n(C)c3c(c(=O)n12)N=C[N]3| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.36 | Num_heavy_atoms: | 28 |
| TPSA: | 154.11 | NumAromaticRings: | 2 |
