Glycoside
GD071295
Name:
NoneFormula:
C15H22O8NFSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](N[C@@H]2Cc3cccc(F)c3C2)[C@H]1OAglycone:
COS(O)(O)O.NC1Cc2cccc(F)c2C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.41 | Num_heavy_atoms: | 26 |
| TPSA: | 151.87 | 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 |
AD25504
Formula: C9H10NF
Smiles:
NC1Cc2cccc(F)c2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
