Glycoside
GD141511
Name:
6-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C22H32O14Smiles:
C=CC1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C2C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.48 | Num_heavy_atoms: | 36 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
