Glycoside

GD125668
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C22H24O9Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(Oc2ccccc2CO)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.32 |
AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
MolWt: | 432.43 | Num_heavy_atoms: | 31 |
TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
MolWt: | 164.16 | Num_heavy_atoms: | 12 |
TPSA: | 57.53 | NumAromaticRings: | 1 |
AD05140
Formula: C7H8O2
Smiles:
OCc1ccccc1OHBA: | 2 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.14 |
AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
MolWt: | 124.14 | Num_heavy_atoms: | 9 |
TPSA: | 40.46 | NumAromaticRings: | 1 |