Glycoside

GD141008
Name:
(6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C28H30O12Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2CC=C(C)C)C(O)C(O)C1OAglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.36 |
AlogP: | 1.83 | Num_rotatable_bonds: | 7 |
MolWt: | 558.54 | Num_heavy_atoms: | 40 |
TPSA: | 196.35 | NumAromaticRings: | 3 |
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 |
AD09118
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12HBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.15 |
AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
MolWt: | 354.36 | Num_heavy_atoms: | 26 |
TPSA: | 111.13 | NumAromaticRings: | 3 |