Glycoside
GD103113
Name:
NoneFormula:
C23H25O6N3SSmiles:
CSc1ccc(-c2cc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2-c2ccccc2)cc1Aglycone:
CSc1ccc(-c2cc(C(N)=O)nn2-c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.54 | Num_heavy_atoms: | 33 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD43626
Formula: C17H15ON3S
Smiles:
CSc1ccc(-c2cc(C(N)=O)nn2-c2ccccc2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.39 | Num_heavy_atoms: | 22 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
