Glycoside
GD110308
Name:
NoneFormula:
C29H30O6N4Smiles:
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1Aglycone:
Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.58 | Num_heavy_atoms: | 39 |
| TPSA: | 146.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD44589
Formula: C21H17ON3
Smiles:
Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.39 | Num_heavy_atoms: | 25 |
| TPSA: | 58.04 | NumAromaticRings: | 4 |
