Glycoside
GD003344
Name:
NoneFormula:
C13H16O6N2Smiles:
CCC#C[C@@]1(O)[C@H](CO)O[C@H](n2ccc(=O)[nH]c2=O)[C@H]1OAglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CCC#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 124.78 | 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 |
