Glycoside
GD094439
Name:
NoneFormula:
C17H23O11NS2Smiles:
COc1ccc2cc(S(=O)(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ccc2c1Aglycone:
COS(O)(O)O.COc1ccc2cc(S(N)(=O)=O)ccc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.5 | Num_heavy_atoms: | 31 |
| TPSA: | 195.24 | NumAromaticRings: | 2 |
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 |
AD34645
Formula: C11H11O3NS
Smiles:
COc1ccc2cc(S(N)(=O)=O)ccc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.28 | Num_heavy_atoms: | 16 |
| TPSA: | 69.39 | NumAromaticRings: | 2 |
