Glycoside
GD151040
Name:
2-[(benzyloxy)methyl]-5-[6-(dimethylamino)-9H-purin-9-yl]oxolane-3,4-diolFormula:
C19H23O4N5Smiles:
CN(C)c1ncnc2c1ncn2C1OC(COCc2ccccc2)C(O)C1OAglycone:
CN(C)c1ncnc2c1N=C[N]2.COCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| TPSA: | 105.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00626
Formula: C7H8N5
Smiles:
CN(C)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
