Glycoside
GD039944
Name:
2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-iumFormula:
C21H26O12N13P2Smiles:
Nc1nc2c(ncn2[C@@H]2OC[C@@H](OP(=O)(O)n3cc[n+](P(=O)(O)O[C@@H]4CO[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H]4O)c3N)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1n(P(=O)(O)O)cc[n+]1P(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1COC(O)C1O.OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 714.47 | Num_heavy_atoms: | 48 |
| TPSA: | 365.99 | NumAromaticRings: | 5 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24602
Formula: C3H8O6N3P2
Smiles:
Nc1n(P(=O)(O)O)cc[n+]1P(=O)(O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.06 | Num_heavy_atoms: | 14 |
| TPSA: | 149.89 | NumAromaticRings: | 1 |
