Glycoside
GD080765
Name:
NoneFormula:
C12H17O10N2ClSSmiles:
Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)noc1ClAglycone:
COS(O)(O)O.Cc1c(C(N)=O)noc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.78 | Num_heavy_atoms: | 25 |
| TPSA: | 194.97 | 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 |
AD25627
Formula: C6H5O2N2Cl
Smiles:
Cc1c(C(N)=O)noc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.56 | Num_heavy_atoms: | 10 |
| TPSA: | 69.12 | NumAromaticRings: | 1 |
