Glycoside
GD029134
Name:
NoneFormula:
C22H25O8N3SSmiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc(C#N)c2-c2cccc(NS(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C#N)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.52 | Num_heavy_atoms: | 34 |
| TPSA: | 178.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD18989
Formula: C14H12O3N2S
Smiles:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C#N)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.33 | Num_heavy_atoms: | 20 |
| TPSA: | 90.19 | NumAromaticRings: | 2 |
