Glycoside
GD098270
Name:
NoneFormula:
C22H28O6N6Smiles:
CC(C)(COCc1ccccc1)c1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(COCc1ccccc1)C1=C[N]N=N1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.5 | Num_heavy_atoms: | 34 |
| TPSA: | 170.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD41802
Formula: C13H16ON3
Smiles:
CC(C)(COCc1ccccc1)C1=C[N]N=N1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 48.05 | NumAromaticRings: | 1 |
