Glycoside
GD085868
Name:
NoneFormula:
C17H23O9NSSmiles:
CC(=O)OC[C@@H]1O[C@@H](SCCC#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N#CCCSSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.44 | Num_heavy_atoms: | 28 |
| TPSA: | 138.22 | 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 |
AD38237
Formula: C3H5NS
Smiles:
N#CCCS| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 87.15 | Num_heavy_atoms: | 5 |
| TPSA: | 23.79 | NumAromaticRings: | 0 |
