Glycoside
GD024281
Name:
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-2-yl)oxy]-1,7-bis(4-hydroxyphenyl)heptan-3-oneFormula:
C35H48O17Smiles:
O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1OAglycone:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 17 |
| MolWt: | 740.75 | Num_heavy_atoms: | 52 |
| TPSA: | 274.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD02986
Formula: C19H22O4
Smiles:
O=C(CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
