Glycoside
GD134311
Name:
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-1H,3H,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C22H30O14Smiles:
C=CC1C2=CCOC(=O)C2=COC1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
C=CC1C2=CCOC(=O)C2=COC1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.47 | Num_heavy_atoms: | 36 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
