Glycoside
GD117767
Name:
NoneFormula:
C12H21O12NS2Smiles:
COC(=O)C(C)(O)CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(C)(O)CC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.43 | Num_heavy_atoms: | 27 |
| TPSA: | 212.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD46998
Formula: C6H11O7NS2
Smiles:
COC(=O)C(C)(O)CC(S)=NOS(=O)(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.29 | Num_heavy_atoms: | 16 |
| TPSA: | 122.49 | NumAromaticRings: | 0 |
