Glycoside
GD011838
Name:
NoneFormula:
C18H21O7N3S2Smiles:
O=C1CSC([C@H](O)[C@H](O)[C@H](O)CO)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1Aglycone:
O=C1CSCN1c1ccc(S(=O)(=O)Nc2ccccn2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 455.51 | Num_heavy_atoms: | 30 |
| TPSA: | 160.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD08988
Formula: C14H13O3N3S2
Smiles:
O=C1CSCN1c1ccc(S(=O)(=O)Nc2ccccn2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.41 | Num_heavy_atoms: | 22 |
| TPSA: | 79.37 | NumAromaticRings: | 2 |
