Glycoside
GD141408
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}-2-[(methoxycarbonyl)amino]butanoateFormula:
C21H28O9N6Smiles:
COC(=O)C(CCc1c(C)nc2n(C)c3c(ncn3C3OC(CO)C(O)C3O)c(=O)n12)N=C(O)OCAglycone:
COC(=O)C(CCc1c(C)nc2n(C)c3c(c(=O)n12)N=C[N]3)N=C(O)OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.49 | Num_heavy_atoms: | 36 |
| TPSA: | 195.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD56971
Formula: C16H19O5N6
Smiles:
COC(=O)C(CCc1c(C)nc2n(C)c3c(c(=O)n12)N=C[N]3)N=C(O)OC| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.37 | Num_heavy_atoms: | 27 |
| TPSA: | 133.88 | NumAromaticRings: | 2 |
