Glycoside
GD025036
Name:
NoneFormula:
C22H26O5NClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(C4CCCC4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(C2CCCC2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.96 | Num_heavy_atoms: | 29 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD16646
Formula: C16H16NClS
Smiles:
Clc1ccccc1Cc1ncc(C2CCCC2)s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.82 | Num_heavy_atoms: | 18 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
