Glycoside
GD142180
Name:
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({4-hydroxy-3-methoxy-5-[(2-methoxyacetyl)oxy]-4,6-dimethyloxan-2-yl}oxy)phosphinic acidFormula:
C20H33O17N3P2Smiles:
COCC(=O)OC1C(C)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=N)nc3O)C(O)C2O)C(OC)C1(C)OAglycone:
COCC(=O)O.COP(=O)(O)OP(=O)(O)O.N=C1C=C[N]C(O)=N1Sugarmoiety:
COC1OOC(C)C(O)C1(C)O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 649.44 | Num_heavy_atoms: | 42 |
| TPSA: | 288.1 | 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 |
AD08121
Formula: C3H6O3
Smiles:
COCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | 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 |
