Glycoside
GD093808
Name:
NoneFormula:
C16H27O12NS2Smiles:
COc1ccc(OCCCS(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COS(O)(O)O.COc1ccc(OCCCS(N)(=O)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 489.52 | Num_heavy_atoms: | 31 |
| TPSA: | 204.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD36318
Formula: C10H15O4NS
Smiles:
COc1ccc(OCCCS(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 245.3 | Num_heavy_atoms: | 16 |
| TPSA: | 78.62 | NumAromaticRings: | 1 |
