Glycoside
GD003225
Name:
NoneFormula:
C19H23O10NSSmiles:
CC(=O)OCC1OC(On2ccccc2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.On1ccccc1=SSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.46 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
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 |
AD02942
Formula: C5H5ONS
Smiles:
On1ccccc1=S| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 25.16 | NumAromaticRings: | 1 |
