Glycoside
GD037761
Name:
Upunoside DFormula:
C34H32O11Smiles:
OC[C@H]1O[C@H](Oc2cc(C=Cc3ccc(O)cc3)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.62 | Num_heavy_atoms: | 45 |
| TPSA: | 189.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD10290
Formula: C28H22O6
Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
