Glycoside
GD117318
Name:
2,3,4,5-tetramethoxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C29H36O17Smiles:
COc1c(OC)c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3cccc(OC)c3oc2c1OCAglycone:
COc1c(OC)c(O)c2c(=O)c3cccc(OC)c3oc2c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 245.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD46759
Formula: C17H16O7
Smiles:
COc1c(OC)c(O)c2c(=O)c3cccc(OC)c3oc2c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
