Glycoside
GD110648
Name:
NoneFormula:
C28H28O8N2SSmiles:
CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1Aglycone:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.61 | Num_heavy_atoms: | 39 |
| TPSA: | 154.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00549
Formula: C22H18O3N2S
Smiles:
CCOC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.46 | Num_heavy_atoms: | 28 |
| TPSA: | 75.11 | NumAromaticRings: | 3 |
