Glycoside
GD116603
Name:
1-(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-(2-hydroxy-3-methylbut-3-en-1-yl)phenyl)ethan-1-oneFormula:
C24H34O12Smiles:
C=C(C)C(O)Cc1cc(C(C)=O)ccc1OC1OC(CO)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
C=C(C)C(O)Cc1cc(C(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.52 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD46340
Formula: C13H16O3
Smiles:
C=C(C)C(O)Cc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 220.27 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
