Glycoside
GD010110
Name:
NoneFormula:
C10H14O7N2Smiles:
O=c1ccn([C@@H]2OC(CO)(CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.23 | Num_heavy_atoms: | 19 |
| TPSA: | 145.01 | NumAromaticRings: | 1 |
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 |
