Glycoside
GD020244
Name:
6-{[1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy}-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diolFormula:
C35H50O16Smiles:
OC[C@]1(O)CO[C@H](OC[C@@H]2O[C@H](O[C@H](CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.66 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 17 |
| MolWt: | 726.77 | Num_heavy_atoms: | 51 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD14010
Formula: C19H24O3
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 300.4 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
