Glycoside
GD063812
Name:
NoneFormula:
C12H19O8N2FSSmiles:
Cc1cc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ncc1FAglycone:
COS(O)(O)O.Cc1cc(N)ncc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.36 | Num_heavy_atoms: | 24 |
| TPSA: | 164.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD30692
Formula: C6H7N2F
Smiles:
Cc1cc(N)ncc1F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.13 | Num_heavy_atoms: | 9 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
