Glycoside
GD149557
Name:
6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H13O6NS2Smiles:
O=C(O)C1OC(Sc2nc3ccccc3s2)C(O)C(O)C1OAglycone:
Sc1nc2ccccc2s1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.38 | Num_heavy_atoms: | 22 |
| TPSA: | 120.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD09784
Formula: C7H5NS2
Smiles:
Sc1nc2ccccc2s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.26 | Num_heavy_atoms: | 10 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
