Glycoside
GD105980
Name:
NoneFormula:
C19H26O12N7PSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O[PH](O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1OAglycone:
CO[PH](O)(O)O.Nc1ncnc2c1N=C[N]2.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.43 | Num_heavy_atoms: | 39 |
| TPSA: | 282.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
