Glycoside
GD013254
Name:
NoneFormula:
C21H22O5SSmiles:
OC[C@@H]1O[C@H](c2cccc(Cc3cc4ccccc4s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2cc3ccccc3s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.47 | Num_heavy_atoms: | 27 |
| TPSA: | 90.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD09915
Formula: C15H12S
Smiles:
c1ccc(Cc2cc3ccccc3s2)cc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.33 | Num_heavy_atoms: | 16 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
