Glycoside
GD092934
Name:
NoneFormula:
C19H23O9NSSmiles:
CC(=O)OC[C@H]1O[C@@H](Sc2ccccn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Sc1ccccn1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.46 | Num_heavy_atoms: | 30 |
| TPSA: | 127.32 | 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 |
AD19570
Formula: C5H5NS
Smiles:
Sc1ccccn1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.17 | Num_heavy_atoms: | 7 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
