Glycoside
GD103665
Name:
NoneFormula:
C23H28O8N2SSmiles:
CO[C@H]1O[C@@H](CNC(=O)c2ccccc2)[C@H](OS(C)(=O)=O)[C@@H](OC)[C@@H]1NC(=O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CS(=O)(=O)O.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.55 | Num_heavy_atoms: | 34 |
| TPSA: | 129.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
