Glycoside
GD130828
Name:
2-{4-[4-(4-hydroxy-3,5-dimethoxybenzoyl)-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O14Smiles:
COc1cc(C(=O)C2COC(c3cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)cc(OC)c1OAglycone:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.58 | Num_heavy_atoms: | 42 |
| TPSA: | 203.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD16417
Formula: C22H26O9
Smiles:
COc1cc(C(=O)C2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 123.91 | NumAromaticRings: | 2 |
