Glycoside
GD008318
Name:
NoneFormula:
C17H21O7N3S2Smiles:
C[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](c2nc(-c3ccccc3)cs2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(C)N.c1ccc(-c2cscn2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.5 | Num_heavy_atoms: | 29 |
| TPSA: | 161.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD06654
Formula: C4H10O4N2S
Smiles:
COS(=O)(=O)NC(=O)C(C)N| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.2 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
AD06655
Formula: C9H7NS
Smiles:
c1ccc(-c2cscn2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.23 | Num_heavy_atoms: | 11 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
