Glycoside
GD040383
Name:
6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amineFormula:
C20H29O9N5PClSmiles:
COC[C@@](CO)(OC[C@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)OAglycone:
COCC(CO)(OC)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 537.89 | Num_heavy_atoms: | 35 |
| TPSA: | 201.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD07274
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD21425
Formula: C5H13O6P
Smiles:
COCC(CO)(OC)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 200.13 | Num_heavy_atoms: | 12 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
