Glycoside
GD017114
Name:
NoneFormula:
C28H36O7N4Smiles:
COc1ccc(-c2cc(C(=O)NN[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1Aglycone:
COc1ccc(-c2cc(C(=O)NN)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.62 | Num_heavy_atoms: | 39 |
| TPSA: | 158.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD10408
Formula: C22H26O2N4
Smiles:
COc1ccc(-c2cc(C(=O)NN)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.48 | Num_heavy_atoms: | 28 |
| TPSA: | 82.17 | NumAromaticRings: | 3 |
