Glycoside
GD094912
Name:
NoneFormula:
C13H21O12NS3Smiles:
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1Aglycone:
COS(O)(O)O.CS(=O)(=O)c1cccc(S(N)(=O)=O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.51 | Num_heavy_atoms: | 29 |
| TPSA: | 220.15 | 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 |
AD34273
Formula: C7H9O4NS2
Smiles:
CS(=O)(=O)c1cccc(S(N)(=O)=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.29 | Num_heavy_atoms: | 14 |
| TPSA: | 94.3 | NumAromaticRings: | 1 |
