Glycoside
GD087732
Name:
NoneFormula:
C15H25O10NS2Smiles:
CC(C)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:
CC(C)c1ccc(S(N)(=O)=O)cc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.5 | Num_heavy_atoms: | 28 |
| TPSA: | 186.01 | 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 |
AD30735
Formula: C9H13O2NS
Smiles:
CC(C)c1ccc(S(N)(=O)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.27 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
