Glycoside
GD026611
Name:
NoneFormula:
C20H23O7N5S2Smiles:
N[C@H](Cc1c[nH]cn1)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)Cc1c[nH]cn1.c1ccc(-c2cscn2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.57 | Num_heavy_atoms: | 34 |
| TPSA: | 189.75 | NumAromaticRings: | 3 |
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 |
AD17529
Formula: C7H12O4N4S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1c[nH]cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 248.26 | Num_heavy_atoms: | 16 |
| TPSA: | 127.17 | NumAromaticRings: | 1 |
