Glycoside
GD095725
Name:
NoneFormula:
C17H24O11N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C#N)S(N)(=O)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.45 | Num_heavy_atoms: | 31 |
| TPSA: | 184.39 | 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 |
AD25115
Formula: C3H6O2N2S
Smiles:
CC(C#N)S(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 134.16 | Num_heavy_atoms: | 8 |
| TPSA: | 83.95 | NumAromaticRings: | 0 |
