Glycoside
GD104907
Name:
NoneFormula:
C24H22O5N2SSmiles:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1=SAglycone:
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=SSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.52 | Num_heavy_atoms: | 32 |
| TPSA: | 118.87 | 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 |
