Glycoside
GD024985
Name:
NoneFormula:
C20H24O12N7F3P2SSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](F)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(O)C(F)(F)P(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O.NC(=O)c1cscn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 705.46 | Num_heavy_atoms: | 45 |
| TPSA: | 297.81 | 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 |
AD16615
Formula: C12H16O8N5F3P2
Smiles:
COP(=O)(O)C(F)(F)P(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.23 | Num_heavy_atoms: | 30 |
| TPSA: | 192.14 | NumAromaticRings: | 2 |
