Glycoside
GD012237
Name:
NoneFormula:
C21H20O11N2SSmiles:
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.46 | Num_heavy_atoms: | 35 |
| TPSA: | 200.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD09241
Formula: C15H12O5N2S
Smiles:
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.34 | Num_heavy_atoms: | 23 |
| TPSA: | 103.78 | NumAromaticRings: | 2 |
