Glycoside
GD032446
Name:
NoneFormula:
C24H22O7N2SSmiles:
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1Aglycone:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.51 | Num_heavy_atoms: | 34 |
| TPSA: | 149.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD20813
Formula: C18H12O2N2S
Smiles:
CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccco1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.37 | Num_heavy_atoms: | 23 |
| TPSA: | 69.79 | NumAromaticRings: | 3 |
