Glycoside
GD122724
Name:
1,5-dihydroxy-3-methoxy-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C26H30O16Smiles:
COc1cc(O)c2c(=O)c3c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)ccc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD01878
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
