Glycoside
GD134932
Name:
1-hydroxy-2,6-dimethoxy-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:
C27H32O16Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3c(O)c(OC)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD14618
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
