Glycoside
GD083423
Name:
NoneFormula:
C14H18O10NClSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)Oc1ccc(Cl)cc1Aglycone:
COS(O)(O)O.NC(=O)Oc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.8 | Num_heavy_atoms: | 26 |
| TPSA: | 178.17 | 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 |
AD29464
Formula: C8H6O2NCl
Smiles:
NC(=O)Oc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.58 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
