Glycoside
...
GD134040

Name:
8-(6-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Formula:
C54H58O32

Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4-c4c(O)cc(O)c5c(=O)c(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)c(-c6ccc(O)c(O)c6)oc45)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2-c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 20 FractionCSP3: 0.44
AlogP: -3.39 Num_rotatable_bonds: 13
MolWt: 1219.03 Num_heavy_atoms: 86
TPSA: 538.86 NumAromaticRings: 6

Unique Aglycone
AD54228
Formula: C30H18O14

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2-c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)oc2cc(O)cc(O)c12
HBA: 14 RingCount: 6
HBD: 10 FractionCSP3: 0.0
AlogP: 3.96 Num_rotatable_bonds: 3
MolWt: 602.46 Num_heavy_atoms: 44
TPSA: 262.72 NumAromaticRings: 6

Sugarmoiety
SD01202

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O