Glycoside
GD015531
Name:
NoneFormula:
C22H25O7ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc(OC4CCOC4)cc3)c(Cl)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1sccc1Cc1ccc(OC2CCOC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.94 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD11273
Formula: C16H15O2ClS
Smiles:
Clc1sccc1Cc1ccc(OC2CCOC2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.8 | Num_heavy_atoms: | 19 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
