Glycoside
GD135196
Name:
N-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-N-methyl-9H-purin-6-amineFormula:
C30H43O9N5Smiles:
COCC1OC(OCC2OC(n3cnc4c(N(C)Cc5ccccc5)ncnc43)C(OC)C2OC)C(OC)C(OC)C1OCAglycone:
CN(Cc1ccccc1)c1ncnc2c1N=C[N]2Sugarmoiety:
COCC1OC(OCC2OC(O)C(OC)C2OC)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 14 |
| MolWt: | 617.7 | Num_heavy_atoms: | 44 |
| TPSA: | 129.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD13879
Formula: C13H12N5
Smiles:
CN(Cc1ccccc1)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
