Glycoside
GD094890
Name:
NoneFormula:
C15H22O11N2S2Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ccc21Aglycone:
CN1C(=O)Cc2cc(S(N)(=O)=O)ccc21.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.48 | Num_heavy_atoms: | 30 |
| TPSA: | 206.32 | 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 |
AD34267
Formula: C9H10O3N2S
Smiles:
CN1C(=O)Cc2cc(S(N)(=O)=O)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.26 | Num_heavy_atoms: | 15 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
