Glycoside
GD008697
Name:
NoneFormula:
C25H31O8N3S2Smiles:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](c2nc(-c3ccc4cc(OC)ccc4c3)cs2)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.COc1ccc2cc(-c3cscn3)ccc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 565.67 | Num_heavy_atoms: | 38 |
| TPSA: | 170.3 | NumAromaticRings: | 3 |
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 |
AD06913
Formula: C14H11ONS
Smiles:
COc1ccc2cc(-c3cscn3)ccc2c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.32 | Num_heavy_atoms: | 17 |
| TPSA: | 22.12 | NumAromaticRings: | 3 |
