Glycoside
GD147011
Name:
7-hydroxy-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:
C29H36O18Smiles:
COc1c(OC)c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OCAglycone:
COc1c(OC)c(O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 672.59 | Num_heavy_atoms: | 47 |
| TPSA: | 265.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD56687
Formula: C17H16O8
Smiles:
COc1c(OC)c(O)c2c(=O)c3cc(O)cc(OC)c3oc2c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
