Glycoside
GD072243
Name:
NoneFormula:
C13H22O9N2SSmiles:
Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccn1CAglycone:
COS(O)(O)O.Cc1c(C(N)=O)ccn1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.39 | Num_heavy_atoms: | 25 |
| TPSA: | 173.87 | 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 |
AD26528
Formula: C7H10ON2
Smiles:
Cc1c(C(N)=O)ccn1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
