Glycoside
GD023766
Name:
[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[3-Hydroxy-5-[(E)-2-(3-Hydroxy-4-Methoxyphenyl)Ethenyl]Phenoxy]-6-(Hydroxymethyl)Oxan-3-Yl] 3,4,5-TrihydroxybenzoateFormula:
C28H28O13Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2)cc1OAglycone:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.25 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 215.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD11932
Formula: C15H14O4
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
