Glycoside
GD037080
Name:
1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-oneFormula:
C27H34O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
