Glycoside
GD033643
Name:
NoneFormula:
C21H27O7NSSmiles:
NS(=O)(=O)C[C@H]1[C@H](O)[C@@H](OCc2ccccc2)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
CS(N)(=O)=O.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 437.51 | Num_heavy_atoms: | 30 |
| TPSA: | 128.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD05494
Formula: CH5O2NS
Smiles:
CS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.12 | Num_heavy_atoms: | 5 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
