Glycoside
GD033686
Name:
NoneFormula:
C22H23O5ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc4c(c3)CCS4)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc2c(c1)CCS2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.93 | Num_heavy_atoms: | 28 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD21480
Formula: C16H13ClS
Smiles:
Clc1ccccc1Cc1ccc2c(c1)CCS2| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.79 | Num_heavy_atoms: | 17 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
