Glycoside
GD013268
Name:
NoneFormula:
C19H25O20N2ClS4Smiles:
O=C(CNC(=O)Cc1cccc(Cl)c1)NCCO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)OAglycone:
COS(=O)(=O)O.O=C(CNC(=O)Cc1cccc(Cl)c1)NCCO.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 17 |
| MolWt: | 753.11 | Num_heavy_atoms: | 45 |
| TPSA: | 331.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD05687
Formula: C13H15O3N2Cl
Smiles:
O=C(CNC(=O)Cc1cccc(Cl)c1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 270.72 | Num_heavy_atoms: | 18 |
| TPSA: | 78.43 | NumAromaticRings: | 1 |
