Glycoside
GD114962
Name:
2-{[1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl]oxy}-6-({[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C30H42O14Smiles:
OCC1(O)OC(OCC2OC(OC(CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)C(O)C(O)C2O)CC1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1(O)OC(OCC2OC(O)C(O)C(O)C2O)CC1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 626.65 | Num_heavy_atoms: | 44 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01667
Formula: C19H24O5
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
