Glycoside
GD076333
Name:
NoneFormula:
C16H19O6N5Smiles:
C#CCCCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCCCC1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.36 | Num_heavy_atoms: | 27 |
| TPSA: | 155.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD25195
Formula: C7H8N3
Smiles:
C#CCCCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.16 | Num_heavy_atoms: | 10 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
