Glycoside
GD105965
Name:
NoneFormula:
C21H31O14N6P2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)O[C@@H]2[C@@H](CO)O[C@@H]([n+]3cccc(C=O)c3)[C@@H]2O)[C@@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)O.Nc1ncnc2c1N=C[N]2.O=Cc1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 653.46 | Num_heavy_atoms: | 43 |
| TPSA: | 298.56 | 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 |
AD36283
Formula: CH10O7P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.03 | Num_heavy_atoms: | 10 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
AD44094
Formula: C6H6ON
Smiles:
O=Cc1ccc[nH+]c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.12 | Num_heavy_atoms: | 8 |
| TPSA: | 31.21 | NumAromaticRings: | 1 |
