Glycoside
GD128428
Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-oneFormula:
C26H34O13Smiles:
CC(C)=CCc1cc(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2oc(=O)ccc2c1Aglycone:
CC(C)=CCc1cc(O)c2oc(=O)ccc2c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD52018
Formula: C14H14O3
Smiles:
CC(C)=CCc1cc(O)c2oc(=O)ccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.26 | Num_heavy_atoms: | 17 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
