Glycoside

GD127160
Name:
[3,5-bis(acetyloxy)-6-[6-(acetyloxy)-3'-(4-hydroxyphenyl)-tetrahydro-2H-spiro[furo[3,2-b]furan-3,2'-oxolane]-2,5'-dioneoxy]-4-hydroxyoxan-2-yl]methyl acetateFormula:
C29H32O17Smiles:
CC(=O)OCC1OC(OC23OCC(OC(C)=O)C2OC(=O)C32OC(=O)CC2c2ccc(O)cc2)C(OC(C)=O)C(O)C1OC(C)=OAglycone:
CC(=O)OC1COC2(O)C1OC(=O)C21OC(=O)CC1c1ccc(O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.59 |
AlogP: | -0.73 | Num_rotatable_bonds: | 8 |
MolWt: | 652.56 | Num_heavy_atoms: | 46 |
TPSA: | 225.95 | NumAromaticRings: | 1 |
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 |
AD51483
Formula: C17H16O9
Smiles:
CC(=O)OC1COC2(O)C1OC(=O)C21OC(=O)CC1c1ccc(O)cc1HBA: | 9 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.47 |
AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
MolWt: | 364.31 | Num_heavy_atoms: | 26 |
TPSA: | 128.59 | NumAromaticRings: | 1 |