Glycoside
GD008763
Name:
NoneFormula:
C20H18O6N2S2Smiles:
N#Cc1c(-c2cccs2)cc(-c2cccs2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1=OAglycone:
N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.51 | Num_heavy_atoms: | 30 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD06955
Formula: C14H8ON2S2
Smiles:
N#Cc1c(-c2cccs2)cc(-c2cccs2)[nH]c1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.37 | Num_heavy_atoms: | 19 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
