Glycoside
GD105897
Name:
NoneFormula:
C21H34O17N7P3Smiles:
CO[P@@](=O)(O[C@H]1O[C@@H](N2C=CC=C(C(N)=O)C2)[C@H](O)[C@@H]1O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[PH](O)(O)O)[C@@H]1OAglycone:
COP(=O)(O)O[PH](O)(O)OC.NC(=O)C1=CC=CNC1.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: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 749.46 | Num_heavy_atoms: | 48 |
| TPSA: | 359.47 | 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 |
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 |
AD24983
Formula: C6H8ON2
Smiles:
NC(=O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD44087
Formula: C2H10O7P2
Smiles:
COP(=O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.04 | Num_heavy_atoms: | 11 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
