Glycoside
GD025305
Name:
NoneFormula:
C12H18O6N2Smiles:
COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@H]1OCAglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COCC1OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 91.78 | 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 |
