Glycoside

GD137356
Name:
4-[(4-hydroxy-3-methoxycyclohexyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)oxolane-3,4-diolFormula:
C20H30O8Smiles:
COc1cc(C2OCC(O)(CC3CCC(O)C(OC)C3)C2(O)CO)ccc1OAglycone:
COC1CC(C)CCC1O.COc1ccccc1OSugarmoiety:
OCC1(O)C(O)OCC1(O)OOther Identifiers
Properties
HBA: | 8 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.7 |
AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
MolWt: | 398.45 | Num_heavy_atoms: | 28 |
TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1OHBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.14 |
AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
MolWt: | 124.14 | Num_heavy_atoms: | 9 |
TPSA: | 29.46 | NumAromaticRings: | 1 |
AD55494
Formula: C8H16O2
Smiles:
COC1CC(C)CCC1OHBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
MolWt: | 144.21 | Num_heavy_atoms: | 10 |
TPSA: | 29.46 | NumAromaticRings: | 0 |