Glycoside
GD157483
Name:
7-hydroxy-5-[4-hydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-oneFormula:
C26H30O12Smiles:
COc1cc(C2Oc3c(O)cc(C=CC(CO)COC4OC(CO)C(O)C(O)C4O)cc3C2=O)ccc1OAglycone:
COc1cc(C2Oc3c(O)cc(C=CC(CO)CO)cc3C2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD62255
Formula: C20H20O7
Smiles:
COc1cc(C2Oc3c(O)cc(C=CC(CO)CO)cc3C2=O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
