Glycoside
GD035230
Name:
NoneFormula:
C35H34O8N4Smiles:
O=C(Nc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1Aglycone:
O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.68 | Num_heavy_atoms: | 47 |
| TPSA: | 181.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD22307
Formula: C29H24O3N4
Smiles:
O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=NCCN4)c3)cc2)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.54 | Num_heavy_atoms: | 36 |
| TPSA: | 102.82 | NumAromaticRings: | 4 |
