Glycoside
GD007047
Name:
1-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,6-dimethoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C25H32O14Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(OC)c(C(C)=O)c(O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc2c1Aglycone:
COc1cc(O)c2c(OC)c(C(C)=O)c(O)cc2c1Sugarmoiety:
OCC1(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD05765
Formula: C14H14O5
Smiles:
COc1cc(O)c2c(OC)c(C(C)=O)c(O)cc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
