Glycoside
GD002386
Name:
NoneFormula:
C21H27O13N7FP2Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](F)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 666.43 | Num_heavy_atoms: | 44 |
| TPSA: | 298.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD02283
Formula: C11H16O9N5FP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.22 | Num_heavy_atoms: | 28 |
| TPSA: | 201.37 | NumAromaticRings: | 2 |
