Glycoside
GD119798
Name:
6-({3-[(2,3-dihydroxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-ethenyl-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C23H28O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OCc2cccc(O)c2O)OC=C2C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.OCc1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD04341
Formula: C7H8O3
Smiles:
OCc1cccc(O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD06795
Formula: C10H12O4
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
