Glycoside
GD125489
Name:
{[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy})phosphinic acidFormula:
C12H21O13N3P2Smiles:
N=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC(O)CO)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC(O)CO.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 477.26 | Num_heavy_atoms: | 30 |
| TPSA: | 254.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD14749
Formula: C4H12O9P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC(O)CO| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 266.08 | Num_heavy_atoms: | 15 |
| TPSA: | 142.75 | 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 |
