Glycoside
GD000161
Name:
NoneFormula:
C28H28O9N2SSmiles:
CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1Aglycone:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.6 | Num_heavy_atoms: | 40 |
| TPSA: | 174.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD00198
Formula: C22H18O4N2S
Smiles:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.46 | Num_heavy_atoms: | 29 |
| TPSA: | 95.34 | NumAromaticRings: | 3 |
