Glycoside
GD025132
Name:
NoneFormula:
C23H20O4N2SSmiles:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OCC(O)C(O)C2O)c1=SAglycone:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=SSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.49 | Num_heavy_atoms: | 30 |
| TPSA: | 98.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD06087
Formula: C18H12N2S
Smiles:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=S| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.38 | Num_heavy_atoms: | 21 |
| TPSA: | 39.58 | NumAromaticRings: | 3 |
