Glycoside
GD036106
Name:
NoneFormula:
C19H24O8N4S2Smiles:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](c2nc(-c3cc(C#N)co3)cs2)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.N#Cc1coc(-c2cscn2)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.56 | Num_heavy_atoms: | 33 |
| TPSA: | 198.0 | 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 |
AD22804
Formula: C8H4ON2S
Smiles:
N#Cc1coc(-c2cscn2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.2 | Num_heavy_atoms: | 12 |
| TPSA: | 49.82 | NumAromaticRings: | 2 |
