Glycoside
GD038145
Name:
2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olateFormula:
C15H21O16N5P4Cl2Smiles:
CO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)O)O[C@@H]1n1c[n+](C)c2c([O-])nc(N)nc21Aglycone:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)O.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 698.13 | Num_heavy_atoms: | 40 |
| TPSA: | 319.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
AD14963
Formula: C4H8O12P4Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.88 | Num_heavy_atoms: | 20 |
| TPSA: | 197.12 | NumAromaticRings: | 0 |
