Glycoside
GD129026
Name:
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3,5-dihydroxy-6-methyloxan-2-yl)oxy]phosphinic acidFormula:
C15H25O14N3P2Smiles:
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=N)nc3O)C(O)C2O)C(O)CC1OAglycone:
COP(=O)(O)OP(=O)(O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
CC1OOC(O)CC1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 533.32 | Num_heavy_atoms: | 34 |
| TPSA: | 263.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | 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 |
