Glycoside
GD107230
Name:
Acanthoside BFormula:
C28H36O13Smiles:
COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@H]23)cc(OC)c1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
