Glycoside
GD114542
Name:
2-[4-({4-[(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-2-hydroxyoxolan-3-yl}methyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H48O18Smiles:
COc1cc(CC2COC(O)C2Cc2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2COC(O)C2Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 744.74 | Num_heavy_atoms: | 52 |
| TPSA: | 265.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD45125
Formula: C22H28O8
Smiles:
COc1cc(CC2COC(O)C2Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
