Glycoside
GD023857
Name:
NoneFormula:
C17H16O8N4F3PSSmiles:
O=P(O)(O)OC[C@@H]1OC(n2c(Sc3cccc(C(F)(F)F)c3)nc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1ncnc2c1N=C(Sc1cccc(C(F)(F)F)c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.37 | Num_heavy_atoms: | 34 |
| TPSA: | 180.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD16001
Formula: C12H6ON4F3S
Smiles:
Oc1ncnc2c1N=C(Sc1cccc(C(F)(F)F)c1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 311.27 | Num_heavy_atoms: | 21 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
