Glycoside
GD094412
Name:
NoneFormula:
C16H22O10N2S2Smiles:
Cc1cnc2c(S(=O)(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cccc2c1Aglycone:
COS(O)(O)O.Cc1cnc2c(S(N)(=O)=O)cccc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.49 | Num_heavy_atoms: | 30 |
| TPSA: | 198.9 | 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 |
AD34632
Formula: C10H10O2N2S
Smiles:
Cc1cnc2c(S(N)(=O)=O)cccc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.27 | Num_heavy_atoms: | 15 |
| TPSA: | 73.05 | NumAromaticRings: | 2 |
