Glycoside
GD018758
Name:
NoneFormula:
C19H25O7N3S2Smiles:
CC(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(N)C(C)C.c1ccc(-c2cscn2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 471.56 | Num_heavy_atoms: | 31 |
| TPSA: | 161.07 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD07969
Formula: C6H14O4N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)C(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.25 | Num_heavy_atoms: | 13 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
