Glycoside
GD028317
Name:
NoneFormula:
C24H27O5ClSSmiles:
COc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCC3)cc1Aglycone:
COc1ccc(Cc2ccc3c(c2Cl)CCC3)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.98 | Num_heavy_atoms: | 30 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD18521
Formula: C18H17OCl
Smiles:
COc1ccc(Cc2ccc3c(c2Cl)CCC3)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.77 | Num_heavy_atoms: | 19 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
