Glycoside
GD116408
Name:
6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4,4a,8a-tetrahydro-2H-1-benzopyran-4-oneFormula:
C32H42O15Smiles:
CC(C)=CCC1=C(O)C(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C2C(=O)CC(c3ccc(O)cc3)OC12Aglycone:
CC(C)=CCC1=C(O)C(O)=C(O)C2C(=O)CC(c3ccc(O)cc3)OC12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.67 | Num_heavy_atoms: | 47 |
| TPSA: | 245.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD46219
Formula: C20H22O6
Smiles:
CC(C)=CCC1=C(O)C(O)=C(O)C2C(=O)CC(c3ccc(O)cc3)OC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
