Glycoside
GD125600
Name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acidFormula:
C19H28O15N6P2Smiles:
COC1C(OP(=O)(O)OCC2OC(n3ccc(=N)nc3O)C(O)C2OP(=O)(O)O)C(CO)OC1n1ccc(=N)nc1OAglycone:
COP(=O)(O)O.N=C1C=C[N]C(O)=N1.N=C1C=C[N]C(O)=N1.O=P(O)(O)OSugarmoiety:
COC1OC(CO)OC1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 642.41 | Num_heavy_atoms: | 42 |
| TPSA: | 314.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
