Glycoside
GD017566
Name:
NoneFormula:
C19H24O13N7FP2SSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3F)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1F.NC(=O)c1cscn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 671.45 | Num_heavy_atoms: | 43 |
| TPSA: | 307.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00051
Formula: C4H4ON2S
Smiles:
NC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD12521
Formula: C11H16O9N5FP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1F| 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 |
