Glycoside
GD109832
Name:
NoneFormula:
C20H21O6N2S2BrSmiles:
COc1ccc(-c2c(Br)c(SC)nc(S[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2C#N)cc1Aglycone:
COc1ccc(-c2c(Br)c(SC)nc(S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 529.43 | Num_heavy_atoms: | 31 |
| TPSA: | 136.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD44579
Formula: C14H11ON2S2Br
Smiles:
COc1ccc(-c2c(Br)c(SC)nc(S)c2C#N)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.29 | Num_heavy_atoms: | 20 |
| TPSA: | 45.91 | NumAromaticRings: | 2 |
