Glycoside
GD039798
Name:
9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amineFormula:
C13H17O10N5P2Smiles:
C#CCNc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
C#CCNc1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.25 | Num_heavy_atoms: | 30 |
| TPSA: | 218.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD08498
Formula: C8H6N5
Smiles:
C#CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
