Glycoside

GD110029
Name:
[3,4,5-tris(acetyloxy)-6-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]oxan-2-yl]methyl acetateFormula:
C27H32O12Smiles:
CCCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12Aglycone:
CCCc1cc(=O)oc2c(C)c(O)ccc12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 0 | FractionCSP3: | 0.52 |
AlogP: | 2.52 | Num_rotatable_bonds: | 9 |
MolWt: | 548.54 | Num_heavy_atoms: | 39 |
TPSA: | 153.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11045
Formula: C13H14O3
Smiles:
CCCc1cc(=O)oc2c(C)c(O)ccc12HBA: | 3 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.31 |
AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
MolWt: | 218.25 | Num_heavy_atoms: | 16 |
TPSA: | 50.44 | NumAromaticRings: | 2 |