Glycoside
GD085095
Name:
NoneFormula:
C15H21O9NS2Smiles:
CO[C@@H]1OC[C@@H](NC(=O)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=OAglycone:
CS(=O)(=O)O.CS(=O)(=O)O.NC(=O)c1ccccc1Sugarmoiety:
COC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.47 | Num_heavy_atoms: | 27 |
| TPSA: | 134.3 | NumAromaticRings: | 1 |
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 |
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 |
