Glycoside
GD102119
Name:
NoneFormula:
C22H23O8N2ClSSmiles:
O=C(Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1ClSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.94 | Num_heavy_atoms: | 33 |
| TPSA: | 164.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD43222
Formula: C16H15O2N2ClS
Smiles:
Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.82 | Num_heavy_atoms: | 21 |
| TPSA: | 63.4 | NumAromaticRings: | 2 |
