Glycoside
GD006859
Name:
NoneFormula:
C21H22O6SSmiles:
OC[C@@H]1O[C@H](c2ccc(O)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccccc1Cc1cc2ccccc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.47 | Num_heavy_atoms: | 28 |
| TPSA: | 110.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD05631
Formula: C15H12OS
Smiles:
Oc1ccccc1Cc1cc2ccccc2s1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.33 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 3 |
