Glycoside
GD005746
Name:
NoneFormula:
C22H21O5ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1cc2ccccc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.91 | Num_heavy_atoms: | 28 |
| TPSA: | 90.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD04835
Formula: C16H11ClS
Smiles:
Clc1ccccc1Cc1cc2ccccc2s1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.77 | Num_heavy_atoms: | 17 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
