Glycoside
GD141938
Name:
3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C32H40O14Smiles:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(OC1OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C1O)C2=OAglycone:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.66 | Num_heavy_atoms: | 46 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD21031
Formula: C20H20O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
