Glycoside
GD038272
Name:
[(2r,3s,4r,5r)-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C12H17O8N6PSmiles:
N=C(N)c1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c12Aglycone:
COP(=O)(O)O.N=C(N)C1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.28 | Num_heavy_atoms: | 27 |
| TPSA: | 243.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23939
Formula: C7H7ON6
Smiles:
N=C(N)C1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.17 | Num_heavy_atoms: | 14 |
| TPSA: | 135.74 | NumAromaticRings: | 1 |
