Glycoside
...
GD126605

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

Formula:
C112H106O64

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(OC9OC(COC%10OC(COC%11OC(COC%12OC(CO)C(O)C(O)C%12O)C(O)C(O)C%11O)C(O)C(O)C%10O)C(O)C(O)C9O)cc8OC(c8cc(O)c(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)cc8OC(c8cc(O)c(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 64 RingCount: 20
HBD: 44 FractionCSP3: 0.32
AlogP: -0.41 Num_rotatable_bonds: 27
MolWt: 2476.02 Num_heavy_atoms: 176
TPSA: 1106.08 NumAromaticRings: 12

Unique Aglycone
AD51240
Formula: C88H66O44

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)cc8OC(c8cc(O)c(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 44 RingCount: 16
HBD: 32 FractionCSP3: 0.14
AlogP: 8.64 Num_rotatable_bonds: 15
MolWt: 1827.45 Num_heavy_atoms: 132
TPSA: 789.48 NumAromaticRings: 12

Sugarmoiety
SD00763

OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O