Glycoside
GD092708
Name:
NoneFormula:
C18H27O10NSSmiles:
CCCOC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CCCOC(N)=S.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.48 | Num_heavy_atoms: | 30 |
| TPSA: | 135.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD24962
Formula: C4H9ONS
Smiles:
CCCOC(N)=S| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.19 | Num_heavy_atoms: | 7 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
