Glycoside
GD094892
Name:
NoneFormula:
C14H21O12NS2Smiles:
COC(=O)c1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
COC(=O)c1ccc(S(N)(=O)=O)cc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.45 | Num_heavy_atoms: | 29 |
| TPSA: | 212.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD03022
Formula: C8H9O4NS
Smiles:
COC(=O)c1ccc(S(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.23 | Num_heavy_atoms: | 14 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
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 |
