Glycoside

GD118121
Name:
{3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C22H24O10Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccccc2CO)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.32 |
AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
MolWt: | 448.42 | Num_heavy_atoms: | 32 |
TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | 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 |