Glycoside
GD066631
Name:
NoneFormula:
C13H17O7N5Smiles:
O=c1ccn([C@@H]2O[C@@](CO)(n3cc(CCO)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1.OCCC1=C[N]N=N1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.31 | Num_heavy_atoms: | 25 |
| TPSA: | 175.72 | 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 |
AD17086
Formula: C4H6ON3
Smiles:
OCCC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.11 | Num_heavy_atoms: | 8 |
| TPSA: | 59.05 | NumAromaticRings: | 0 |
