Glycoside
GD021041
Name:
NoneFormula:
C17H21O10N2S2Smiles:
COc1cccc2[nH]cc(CC(=NOS(=O)(=O)[O-])S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c12Aglycone:
COc1cccc2[nH]cc(CC(S)=NOS(=O)(=O)[O-])c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.49 | Num_heavy_atoms: | 31 |
| TPSA: | 193.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD14436
Formula: C11H11O5N2S2
Smiles:
COc1cccc2[nH]cc(CC(S)=NOS(=O)(=O)[O-])c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.35 | Num_heavy_atoms: | 20 |
| TPSA: | 103.81 | NumAromaticRings: | 2 |
