Glycoside

GD156502
Name:
3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-[3,5,7-trihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-8-yl]-2,4-dioxatricyclo[5.4.0.0³,âµ]undeca-1(11),7,9-trien-6-oneFormula:
C36H28O19Smiles:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)c(O)c3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)oc12Aglycone:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)c(O)c3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 8 |
HBD: | 12 | FractionCSP3: | 0.22 |
AlogP: | 0.64 | Num_rotatable_bonds: | 6 |
MolWt: | 764.6 | Num_heavy_atoms: | 55 |
TPSA: | 330.26 | NumAromaticRings: | 5 |
Unique Aglycone
AD61961
Formula: C30H18O14
Smiles:
O=C1c2c(O)cc(O)cc2OC2(c3ccc(O)c(O)c3)OC12c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12HBA: | 14 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.07 |
AlogP: | 3.16 | Num_rotatable_bonds: | 3 |
MolWt: | 602.46 | Num_heavy_atoms: | 44 |
TPSA: | 251.11 | NumAromaticRings: | 5 |