Glycoside
GD073805
Name:
NoneFormula:
C15H17O8N5Smiles:
C=CC(=O)OCc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
C=CC(=O)OCC1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.33 | Num_heavy_atoms: | 28 |
| TPSA: | 181.79 | 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 |
AD26112
Formula: C6H6O2N3
Smiles:
C=CC(=O)OCC1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.13 | Num_heavy_atoms: | 11 |
| TPSA: | 65.12 | NumAromaticRings: | 0 |
