Glycoside
GD120497
Name:
(3,4,5-trihydroxy-6-{[4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C23H28O11Smiles:
CC(CCc1ccc(O)cc1)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
CC(O)CCc1ccc(O)cc1.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD04221
Formula: C10H14O2
Smiles:
CC(O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
