Glycoside
GD095377
Name:
NoneFormula:
C21H26O8N4SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2Aglycone:
NC(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.53 | Num_heavy_atoms: | 34 |
| TPSA: | 174.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD40708
Formula: C15H16O3N4S
Smiles:
NC(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 98.29 | NumAromaticRings: | 2 |
