Glycoside

GD153851
Name:
[3,4,5-tris(acetyloxy)-6-{[2,3,4,5,6-pentakis(acetyloxy)cyclohexyl]oxy}oxan-2-yl]methyl acetateFormula:
C30H40O20Smiles:
CC(=O)OCC1OC(OC2C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 20 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.7 |
AlogP: | -0.87 | Num_rotatable_bonds: | 12 |
MolWt: | 720.63 | Num_heavy_atoms: | 50 |
TPSA: | 255.16 | NumAromaticRings: | 0 |
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 |
AD53673
Formula: C16H22O11
Smiles:
CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OHBA: | 11 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.69 |
AlogP: | -0.98 | Num_rotatable_bonds: | 5 |
MolWt: | 390.34 | Num_heavy_atoms: | 27 |
TPSA: | 151.73 | NumAromaticRings: | 0 |