Glycoside
GD016271
Name:
NoneFormula:
C22H24O7N2SSmiles:
COc1ccc(-c2c(C(C)=O)c(C)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.51 | Num_heavy_atoms: | 32 |
| TPSA: | 145.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD11742
Formula: C16H14O2N2S
Smiles:
COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.37 | Num_heavy_atoms: | 21 |
| TPSA: | 65.88 | NumAromaticRings: | 2 |
