Glycoside
GD104888
Name:
NoneFormula:
C25H28O6N2SSmiles:
Cc1ccc(-c2c3c(n([C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1Aglycone:
Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CC(C)(C)CC3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.57 | Num_heavy_atoms: | 34 |
| TPSA: | 135.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD03094
Formula: C19H18ON2S
Smiles:
Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CC(C)(C)CC3=O)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.43 | Num_heavy_atoms: | 23 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
