Glycoside
...
GD138801

Name:
4-{4-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)-3-(3,4,5-trihydroxybenzoyloxy)-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-(hydroxymethyl)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:
C113H100O62

Smiles:
O=C(OCC1OC(Oc2cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(OC9OC(COC%10OC(CO)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)c3c2CC(OC(=O)c2cc(O)c(O)c(O)c2)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.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)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 62 RingCount: 20
HBD: 42 FractionCSP3: 0.27
AlogP: 2.69 Num_rotatable_bonds: 26
MolWt: 2449.98 Num_heavy_atoms: 175
TPSA: 1073.46 NumAromaticRings: 13

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD56001
Formula: C88H66O43

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)c2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 43 RingCount: 16
HBD: 31 FractionCSP3: 0.14
AlogP: 8.94 Num_rotatable_bonds: 15
MolWt: 1811.45 Num_heavy_atoms: 131
TPSA: 769.25 NumAromaticRings: 12

Sugarmoiety
SD02477

OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O