Glycoside
GD003037
Name:
NoneFormula:
C19H17O5N2ClSSmiles:
N#Cc1ccc(-c2ccc(Cl)cc2)n(C2OC(CO)C(O)C(O)C2O)c1=SAglycone:
N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.86 | Num_heavy_atoms: | 27 |
| TPSA: | 118.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD01425
Formula: C13H7N2ClS
Smiles:
N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=S| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.72 | Num_heavy_atoms: | 16 |
| TPSA: | 39.58 | NumAromaticRings: | 2 |
