Glycoside
GD101274
Name:
NoneFormula:
C22H28O8N2SSmiles:
O=S(=O)(c1cccc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1)N1CCCC1Aglycone:
O=S(=O)(c1cccc(Nc2ccc(O)cc2)c1)N1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.54 | Num_heavy_atoms: | 33 |
| TPSA: | 148.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD42840
Formula: C16H18O3N2S
Smiles:
O=S(=O)(c1cccc(Nc2ccc(O)cc2)c1)N1CCCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.4 | Num_heavy_atoms: | 22 |
| TPSA: | 69.64 | NumAromaticRings: | 2 |
