Glycoside

GD142697
Name:
5-hydroxy-10,14-dimethyl-15-{1-[4-methyl-6-oxo-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dihydro-2H-pyran-2-yl]ethyl}-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadec-7-en-9-oneFormula:
C34H48O11Smiles:
CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.82 |
AlogP: | 1.18 | Num_rotatable_bonds: | 6 |
MolWt: | 632.75 | Num_heavy_atoms: | 45 |
TPSA: | 175.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD57418
Formula: C28H38O6
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)C1HBA: | 6 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.79 |
AlogP: | 3.35 | Num_rotatable_bonds: | 3 |
MolWt: | 470.61 | Num_heavy_atoms: | 34 |
TPSA: | 96.36 | NumAromaticRings: | 0 |