Glycoside
GD123902
Name:
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C31H42O16Smiles:
COc1cc(C2OC(c3ccc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)c(OC)c3)C(CO)C2CO)ccc1OAglycone:
COc1cc(C2OC(c3ccc(O)c(OC)c3)C(CO)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD48237
Formula: C20H24O7
Smiles:
COc1cc(C2OC(c3ccc(O)c(OC)c3)C(CO)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
