Glycoside
GD062998
Name:
NoneFormula:
C11H18O7N2S2Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2nccs2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1nccs1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.41 | Num_heavy_atoms: | 22 |
| TPSA: | 138.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD30383
Formula: C5H8O3N2S2
Smiles:
O=S(=O)(NCCO)c1nccs1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.26 | Num_heavy_atoms: | 12 |
| TPSA: | 79.29 | NumAromaticRings: | 1 |
