Glycoside
GD019191
Name:
TAS-106Formula:
C11H13O5N3Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@H]1OAglycone:
Nc1cc[nH]c(=O)n1Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.24 | Num_heavy_atoms: | 19 |
| TPSA: | 130.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
