Glycoside
GD013531
Name:
NoneFormula:
C23H22O7N2SSmiles:
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.5 | Num_heavy_atoms: | 33 |
| TPSA: | 141.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD08779
Formula: C17H12O2N2S
Smiles:
COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.36 | Num_heavy_atoms: | 22 |
| TPSA: | 61.95 | NumAromaticRings: | 3 |
