Glycoside

GD026850
Name:
(6-{2,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C22H24O10Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.32 |
AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
MolWt: | 448.42 | Num_heavy_atoms: | 32 |
TPSA: | 166.14 | NumAromaticRings: | 2 |
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 |
AD03488
Formula: C14H12O4
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2O)cc1HBA: | 4 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
MolWt: | 244.25 | Num_heavy_atoms: | 18 |
TPSA: | 80.92 | NumAromaticRings: | 2 |