Glycoside
GD147978
Name:
BacillithiolFormula:
C13H22O10N2SSmiles:
NC(CS)C(O)=NC1C(OC(CC(=O)O)C(=O)O)OC(CO)C(O)C1OAglycone:
N=C(O)C(N)CS.O=C(O)CC(O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 398.39 | Num_heavy_atoms: | 26 |
| TPSA: | 212.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD24291
Formula: C4H6O5
Smiles:
O=C(O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.09 | Num_heavy_atoms: | 9 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD59234
Formula: C3H8ON2S
Smiles:
N=C(O)C(N)CS| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.18 | Num_heavy_atoms: | 7 |
| TPSA: | 70.1 | NumAromaticRings: | 0 |
