Glycoside
GD103869
Name:
NoneFormula:
C24H26O6N4Smiles:
CC(C)(C)n1nc(-c2cccc3ccccc23)c(C#N)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
CC(C)(C)n1nc(-c2cccc3ccccc23)c(C#N)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.49 | Num_heavy_atoms: | 34 |
| TPSA: | 168.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD43911
Formula: C18H18N4
Smiles:
CC(C)(C)n1nc(-c2cccc3ccccc23)c(C#N)c1N| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.37 | Num_heavy_atoms: | 22 |
| TPSA: | 67.63 | NumAromaticRings: | 3 |
