Glycoside
GD013441
Name:
NoneFormula:
C21H29O8N3S2Smiles:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](c2nc(-c3cccc(OC)c3)cs2)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.COc1cccc(-c2cscn2)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.61 | Num_heavy_atoms: | 34 |
| TPSA: | 170.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD01496
Formula: C7H16O4N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
AD10029
Formula: C10H9ONS
Smiles:
COc1cccc(-c2cscn2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.25 | Num_heavy_atoms: | 13 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
