Glycoside
GD075984
Name:
NoneFormula:
C14H24O9N2SSmiles:
CO[C@@H]1O[C@H](CNC(C)=O)[C@@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]1NC(C)=OAglycone:
CNC(C)=O.CS(=O)(=O)OSugarmoiety:
COC1OC(O)C(OC(C)=O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.42 | Num_heavy_atoms: | 26 |
| TPSA: | 146.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
