Glycoside
GD019612
Name:
NoneFormula:
C26H25O7N2ClSSmiles:
O=C(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@H](O)[C@H]1O)c1cccc(-c2ccccc2)c1Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1.NC(=O)c1cccc(-c2ccccc2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.0 | Num_heavy_atoms: | 36 |
| TPSA: | 145.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD05138
Formula: C13H11ON
Smiles:
NC(=O)c1cccc(-c2ccccc2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.24 | Num_heavy_atoms: | 15 |
| TPSA: | 43.09 | NumAromaticRings: | 2 |
AD13668
Formula: C8H8O2NClS
Smiles:
CNS(=O)(=O)c1cccc(Cl)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.67 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
