Glycoside
GD081008
Name:
NoneFormula:
C18H18O6N6Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C(=O)c4ccccc4)nn3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=C(C1=C[N]N=N1)c1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.38 | Num_heavy_atoms: | 30 |
| TPSA: | 178.61 | 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 |
AD28749
Formula: C9H6ON3
Smiles:
O=C(C1=C[N]N=N1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.89 | NumAromaticRings: | 1 |
