Glycoside
GD015370
Name:
NoneFormula:
C11H13O6N3Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@@]1(C#N)n1ccc(=O)[nH]c1=OAglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC1(O)C(O)C(CO)OC1(O)C#NOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.24 | Num_heavy_atoms: | 20 |
| TPSA: | 148.57 | 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 |
