Glycoside

GD152771
Name:
[3,4,5-tris(acetyloxy)-6-{[5,6,7-tris(acetyloxy)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl]methyl acetateFormula:
C29H38O17Smiles:
CC(=O)OCC1OC(OC2OC=CC3C(OC(C)=O)C(OC(C)=O)C(C)(OC(C)=O)C23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1C2C=COC(O)C2C(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: | 17 | RingCount: | 3 |
HBD: | 0 | FractionCSP3: | 0.69 |
AlogP: | 0.39 | Num_rotatable_bonds: | 10 |
MolWt: | 658.61 | Num_heavy_atoms: | 46 |
TPSA: | 211.79 | 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 |
AD60805
Formula: C15H20O8
Smiles:
CC(=O)OC1C2C=COC(O)C2C(C)(OC(C)=O)C1OC(C)=OHBA: | 8 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.67 |
AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
MolWt: | 328.32 | Num_heavy_atoms: | 23 |
TPSA: | 108.36 | NumAromaticRings: | 0 |