Glycoside
GD140956
Name:
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxy]phosphinic acidFormula:
C15H23O15N3P2Smiles:
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=N)nc3O)C(O)C2O)C(O)C(O)C1=OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 547.3 | Num_heavy_atoms: | 35 |
| TPSA: | 280.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD24228
Formula: C7H14O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.13 | Num_heavy_atoms: | 20 |
| TPSA: | 169.05 | 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 |
