Glycoside
GD013399
Name:
NoneFormula:
C23H27O7N5Smiles:
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)COC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)CO)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.5 | Num_heavy_atoms: | 35 |
| TPSA: | 194.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD10003
Formula: C17H19ON5
Smiles:
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)CO)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.37 | Num_heavy_atoms: | 23 |
| TPSA: | 98.52 | NumAromaticRings: | 2 |
