Glycoside
...
GD131558

Name:
5-hydroxy-4-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-4-(3,5,7-trihydroxy-4-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl}-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Formula:
C115H108O61

Smiles:
O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 61 RingCount: 22
HBD: 47 FractionCSP3: 0.31
AlogP: 1.13 Num_rotatable_bonds: 22
MolWt: 2466.07 Num_heavy_atoms: 176
TPSA: 1087.87 NumAromaticRings: 13

Unique Aglycone
AD53294
Formula: C97H78O46

Smiles:
O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
HBA: 46 RingCount: 19
HBD: 38 FractionCSP3: 0.19
AlogP: 8.01 Num_rotatable_bonds: 13
MolWt: 1979.65 Num_heavy_atoms: 143
TPSA: 850.42 NumAromaticRings: 13

Sugarmoiety
SD00460

OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O