Glycoside
GD138087
Name:
2-(2H-1,3-benzodioxol-5-yl)-5,6-dimethoxy-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H36O17Smiles:
COc1c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1OC)C(=O)CC(c1ccc3c(c1)OCO3)O2Aglycone:
COc1c(O)cc2c(c1OC)C(=O)CC(c1ccc3c(c1)OCO3)O2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 241.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD55758
Formula: C18H16O7
Smiles:
COc1c(O)cc2c(c1OC)C(=O)CC(c1ccc3c(c1)OCO3)O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
