Glycoside
GD014065
Name:
NoneFormula:
C27H34O6N4Smiles:
COc1ccc(-c2cc(C(=O)NN[C@@H]3OC[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:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.59 | Num_heavy_atoms: | 37 |
| TPSA: | 138.1 | 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 |
