Glycoside
GD105662
Name:
NoneFormula:
C21H36O17N7P3Smiles:
NC(=O)C1=CN([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O[PH](O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OC.NC(=O)C1=CNC=CC1.Nc1ncnc2c1N=C[N]2.O[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.52 |
| AlogP: | -4.69 | Num_rotatable_bonds: | 13 |
| MolWt: | 751.47 | Num_heavy_atoms: | 48 |
| TPSA: | 373.63 | NumAromaticRings: | 2 |
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 |
AD02853
Formula: C6H8ON2
Smiles:
NC(=O)C1=CNC=CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD24820
Formula: H5O4P
Smiles:
O[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.01 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD40426
Formula: C2H12O7P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.06 | Num_heavy_atoms: | 11 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
