Glycoside
GD087492
Name:
NoneFormula:
C17H24O10N2SSmiles:
CC(=O)N1CCc2cc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ccc21Aglycone:
CC(=O)N1CCc2cc(C(N)=O)ccc21.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.45 | Num_heavy_atoms: | 30 |
| TPSA: | 189.25 | 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 |
AD38458
Formula: C11H12O2N2
Smiles:
CC(=O)N1CCc2cc(C(N)=O)ccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
