Glycoside

GD136445
Name:
(6-hydroxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,9-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl benzoateFormula:
C23H28O11Smiles:
CC12OC3CC(O)(O1)C1CC2(OC2OC(CO)C(O)C(O)C2O)C31COC(=O)c1ccccc1Aglycone:
CC12OC3CC(O)(O1)C1CC2(O)C31COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 8 |
HBD: | 5 | FractionCSP3: | 0.7 |
AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
MolWt: | 480.47 | Num_heavy_atoms: | 34 |
TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD55150
Formula: C17H18O6
Smiles:
CC12OC3CC(O)(O1)C1CC2(O)C31COC(=O)c1ccccc1HBA: | 6 | RingCount: | 7 |
HBD: | 2 | FractionCSP3: | 0.59 |
AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
MolWt: | 318.32 | Num_heavy_atoms: | 23 |
TPSA: | 85.22 | NumAromaticRings: | 1 |