Glycoside
GD019451
Name:
3-(4-hydroxyphenyl)-1-[4-methoxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]propan-1-oneFormula:
C28H36O15Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(C(=O)CCc2ccc(O)cc2)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1c(O)cc(C(=O)CCc2ccc(O)cc2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD13574
Formula: C16H16O5
Smiles:
COc1c(O)cc(C(=O)CCc2ccc(O)cc2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
