Glycoside
GD013338
Name:
NoneFormula:
C24H27O7ClSSmiles:
CS[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCCCC(=O)O)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)CCCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.98 | Num_heavy_atoms: | 32 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD09969
Formula: C18H17O3Cl
Smiles:
O=C(O)CCCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 304.77 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
