Glycoside
GD016891
Name:
NoneFormula:
C25H26O6N2SSmiles:
CC(C)c1ccc(-c2cc(-c3cccs3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2C#N)cc1Aglycone:
CC(C)c1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.56 | Num_heavy_atoms: | 34 |
| TPSA: | 135.94 | NumAromaticRings: | 3 |
Unique Aglycone
AD12109
Formula: C19H16ON2S
Smiles:
CC(C)c1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.42 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 3 |
