Glycoside
GD094371
Name:
NoneFormula:
C16H20O11NClSSmiles:
COC(=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1ClAglycone:
COC(=O)c1ccc(C(N)=O)cc1Cl.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.84 | Num_heavy_atoms: | 29 |
| TPSA: | 195.24 | 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 |
AD34605
Formula: C10H8O3NCl
Smiles:
COC(=O)c1ccc(C(N)=O)cc1Cl| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.62 | Num_heavy_atoms: | 14 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
