Glycoside
GD120937
Name:
1-(1-hydroxy-8-methoxy-3-methyl-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C26H34O14Smiles:
COc1cccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(C)c(C(C)=O)c(O)c12Aglycone:
COc1cccc2c(O)c(C)c(C(C)=O)c(O)c12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD48632
Formula: C14H14O4
Smiles:
COc1cccc2c(O)c(C)c(C(C)=O)c(O)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
