Glycoside
GD005500
Name:
GLUCOSULFONEFormula:
C24H36O18N2S3Smiles:
O=S(=O)(c1ccc(NC([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)O)cc1)c1ccc(NC([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)O)cc1Aglycone:
O=S(=O)(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)(=O)O)cc2)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)O.OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.5 |
| AlogP: | -5.36 | Num_rotatable_bonds: | 18 |
| MolWt: | 736.75 | Num_heavy_atoms: | 47 |
| TPSA: | 369.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD04671
Formula: C14H16O8N2S3
Smiles:
O=S(=O)(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)(=O)O)cc2)cc1| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.49 | Num_heavy_atoms: | 27 |
| TPSA: | 166.94 | NumAromaticRings: | 2 |
