Glycoside
GD008245
Name:
BETA-2'-C-METHYL-7-DEAZA-ADENOSINEFormula:
C12H16O4N4Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1ccc2c(N)ncnc21Aglycone:
Nc1ncnc2c1C=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
