Glycoside
GD040293
Name:
3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)Formula:
C19H24O18N7P3Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](COP(=O)(O)O[C@H]3[C@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O)[C@@H]3OP(=O)(O)O[C@@H]32)c(=O)[nH]1Aglycone:
COP(=O)(O)O.Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 731.35 | Num_heavy_atoms: | 47 |
| TPSA: | 361.42 | NumAromaticRings: | 3 |
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 |
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24718
Formula: C10H13O10N5P2
Smiles:
Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)[nH]1| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 425.19 | Num_heavy_atoms: | 27 |
| TPSA: | 221.34 | NumAromaticRings: | 2 |
