Glycoside
GD002781
Name:
NoneFormula:
C16H29O10NS2Smiles:
CCN=C(S)SC1OC(CO)C(OCC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CCN=C(S)SSugarmoiety:
OCC1OC(COC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -3.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.54 | Num_heavy_atoms: | 29 |
| TPSA: | 181.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD02614
Formula: C3H7NS2
Smiles:
CCN=C(S)S| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.23 | Num_heavy_atoms: | 6 |
| TPSA: | 12.36 | NumAromaticRings: | 0 |
