Glycoside
GD120663
Name:
NoneFormula:
C13H26O6N2SSmiles:
CC(C)N=C(O)CC1OC(CNS(=O)(=O)C(C)C)C(O)C1OAglycone:
CC(O)=NC(C)C.CNS(=O)(=O)C(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 338.43 | Num_heavy_atoms: | 22 |
| TPSA: | 128.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD23587
Formula: C4H11O2NS
Smiles:
CNS(=O)(=O)C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.2 | Num_heavy_atoms: | 8 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
