Glycoside
GD007975
Name:
NoneFormula:
C24H30O9N2SSmiles:
CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1CAglycone:
CCc1c(C)[nH]c(=S)c(C#N)c1C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.58 | Num_heavy_atoms: | 36 |
| TPSA: | 143.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06428
Formula: C10H12N2S
Smiles:
CCc1c(C)[nH]c(=S)c(C#N)c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.29 | Num_heavy_atoms: | 13 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
