Glycoside
GD038018
Name:
2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-oneFormula:
C17H24O10N5PSmiles:
Nc1nc2c(c(CN[C@@H]3C=C[C@@H](O)[C@H]3O)cn2[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)C(CNC1C=CC(O)C1O)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.38 | Num_heavy_atoms: | 33 |
| TPSA: | 245.64 | 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 |
AD23830
Formula: C12H14O3N5
Smiles:
Nc1nc2c(c(=O)[nH]1)C(CNC1C=CC(O)C1O)=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.28 | Num_heavy_atoms: | 20 |
| TPSA: | 138.36 | NumAromaticRings: | 1 |
