Glycoside
GD017067
Name:
EXCOECARIPHENOL BFormula:
C21H24O12SSmiles:
OC[C@@H]1O[C@H](Sc2c(O)cc(O)c3c2O[C@H](c2cc(O)c(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(C2Oc3c(S)c(O)cc(O)c3CC2O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.48 | Num_heavy_atoms: | 34 |
| TPSA: | 220.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD12227
Formula: C15H14O7S
Smiles:
Oc1cc(C2Oc3c(S)c(O)cc(O)c3CC2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 338.34 | Num_heavy_atoms: | 23 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
