Glycoside
GD153175
Name:
4,8a-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,7,8,8a-hexahydro-2H-1-benzopyran-7-oneFormula:
C22H28O12Smiles:
COc1ccc(C2COC3(O)CC(=O)C=CC3(OC3OC(CO)C(O)C(O)C3O)C2O)c(O)c1Aglycone:
COc1ccc(C2COC3(O)CC(=O)C=CC3(O)C2O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD60942
Formula: C16H18O7
Smiles:
COc1ccc(C2COC3(O)CC(=O)C=CC3(O)C2O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
