Glycoside

GD151608
Name:
6-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6-(prop-2-en-1-yl)-5,6-dihydro-2H-1,3-benzodioxol-5-oneFormula:
C21H30O10Smiles:
C=CCC1(CC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C=C2OCOC2=CC1=OAglycone:
C=CCC1(CC(O)C(C)(C)O)C=C2OCOC2=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.67 |
AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
MolWt: | 442.46 | Num_heavy_atoms: | 31 |
TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD60443
Formula: C15H20O5
Smiles:
C=CCC1(CC(O)C(C)(C)O)C=C2OCOC2=CC1=OHBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.53 |
AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
MolWt: | 280.32 | Num_heavy_atoms: | 20 |
TPSA: | 75.99 | NumAromaticRings: | 0 |