Glycoside
GD038835
Name:
3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate esterFormula:
C23H27O13N8P3Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)N[P@@](=O)(O)Nc3ccc(C(=O)c4ccccc4)cc3N)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)NP(=O)(O)Nc1ccc(C(=O)c2ccccc2)cc1N.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.22 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 716.43 | Num_heavy_atoms: | 47 |
| TPSA: | 336.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24159
Formula: C14H18O9N3P3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)Nc1ccc(C(=O)c2ccccc2)cc1N| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.23 | Num_heavy_atoms: | 29 |
| TPSA: | 197.51 | NumAromaticRings: | 2 |
