Glycoside
GD094956
Name:
NoneFormula:
C12H14O8NSISmiles:
COC(=O)c1sc(I)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
COC(=O)c1sc(I)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.21 | Num_heavy_atoms: | 23 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD40578
Formula: C6H6O2NSI
Smiles:
COC(=O)c1sc(I)cc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 283.09 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
