Glycoside
GD035459
Name:
NoneFormula:
C22H24O6SSmiles:
COc1ccc(Cc2cc3ccccc3s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2cc3ccccc3s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.5 | Num_heavy_atoms: | 29 |
| TPSA: | 99.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD22430
Formula: C16H14OS
Smiles:
COc1ccc(Cc2cc3ccccc3s2)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.35 | Num_heavy_atoms: | 18 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
