Glycoside
GD099318
Name:
NoneFormula:
C17H21O8N2BrSmiles:
CCOC(=O)COc1c(C#N)cc(Br)cc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCOC(=O)COc1c(N)cc(Br)cc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.27 | Num_heavy_atoms: | 28 |
| TPSA: | 161.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD42241
Formula: C11H11O3N2Br
Smiles:
CCOC(=O)COc1c(N)cc(Br)cc1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.12 | Num_heavy_atoms: | 17 |
| TPSA: | 85.34 | NumAromaticRings: | 1 |
