Glycoside
GD006459
Name:
EXCOECARIPHENOL AFormula:
C21H24O11SSmiles:
OC[C@@H]1O[C@H](Sc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2Oc3c(S)c(O)cc(O)c3CC2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.48 | Num_heavy_atoms: | 33 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD05349
Formula: C15H14O6S
Smiles:
Oc1ccc(C2Oc3c(S)c(O)cc(O)c3CC2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.34 | Num_heavy_atoms: | 22 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
