Glycoside
GD133342
Name:
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C26H28O12Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OAglycone:
CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD53971
Formula: C20H18O7
Smiles:
CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
