Glycoside
GD108131
Name:
NoneFormula:
C30H28O9N6Smiles:
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.59 | Num_heavy_atoms: | 45 |
| TPSA: | 215.17 | NumAromaticRings: | 5 |
Unique Aglycone
AD44406
Formula: C24H19O3N6
Smiles:
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2C2=NN=N[N]2)cc1| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.46 | Num_heavy_atoms: | 33 |
| TPSA: | 115.53 | NumAromaticRings: | 4 |
