Glycoside

GD126642
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-({[4-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}phenyl)-2-oxobut-3-en-1-yl]oxy}methyl)-4H-chromen-4-oneFormula:
C32H30O16Smiles:
O=C(C=Cc1ccc(O)c(OOC2OC(CO)C(O)C(O)C2O)c1)COCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OAglycone:
O=C(C=Cc1ccc(O)c(OO)c1)COCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 5 |
HBD: | 9 | FractionCSP3: | 0.25 |
AlogP: | 0.9 | Num_rotatable_bonds: | 11 |
MolWt: | 670.58 | Num_heavy_atoms: | 48 |
TPSA: | 266.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD51259
Formula: C26H20O11
Smiles:
O=C(C=Cc1ccc(O)c(OO)c1)COCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OHBA: | 11 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.08 |
AlogP: | 3.64 | Num_rotatable_bonds: | 8 |
MolWt: | 508.44 | Num_heavy_atoms: | 37 |
TPSA: | 187.12 | NumAromaticRings: | 4 |