Glycoside
GD043514
Name:
NoneFormula:
C9H14O7N2Smiles:
O=c1cc([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 262.22 | Num_heavy_atoms: | 18 |
| TPSA: | 166.87 | 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 |
