Glycoside
GD004865
Name:
NoneFormula:
C12H14O6N2Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cc(C)c(=O)[nH]c2=O)[C@H]1OAglycone:
Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.25 | Num_heavy_atoms: | 20 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
