Glycoside
GD110306
Name:
NoneFormula:
C29H30O6N4Smiles:
CC(=O)N[C@H]1[C@@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
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 |
