Glycoside
GD072248
Name:
NoneFormula:
C14H24O9N2SSmiles:
Cc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(C)n1CAglycone:
COS(O)(O)O.Cc1cc(C(N)=O)c(C)n1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.42 | Num_heavy_atoms: | 26 |
| 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 |
AD26534
Formula: C8H12ON2
Smiles:
Cc1cc(C(N)=O)c(C)n1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.2 | Num_heavy_atoms: | 11 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
