Glycoside
GD142633
Name:
2-({5-[bis(3,4-dihydroxyphenyl)(hydroxy)methyl]-2-hydroxyoxolan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O13Smiles:
OCC1OC(OC2CC(C(O)(c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)OC2O)C(O)C(O)C1OAglycone:
Oc1ccc(C(O)c2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(OC2CC(O)OC2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.46 | Num_heavy_atoms: | 36 |
| TPSA: | 229.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD57394
Formula: C13H12O5
Smiles:
Oc1ccc(C(O)c2ccc(O)c(O)c2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.08 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
