Glycoside
...
GD128640

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

Formula:
C120H114O63

Smiles:
O=C(OC1Cc2c(cc(O)c(C3c4c(cc(O)c(C5c6c(ccc(C7c8c(cc(OC9OC(CO)C(O)C(O)C9O)c(C9c%10c(O)cc(OC%11OC(COC%12OC(CO)C(O)C(O)C%12O)C(O)C(O)C%11O)cc%10OC(c%10ccc(O)c(O)c%10)C9O)c8O)OC(c8ccc(O)c(O)c8)C7O)c6O)OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4O)OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC2OC(CO)C(O)C(O)C2O)OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1Cc2c(cc(O)c(C3c4c(cc(O)c(C5c6c(ccc(C7c8c(cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10ccc(O)c(O)c%10)C9O)c8O)OC(c8ccc(O)c(O)c8)C7O)c6O)OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4O)OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2O)OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 63 RingCount: 22
HBD: 44 FractionCSP3: 0.33
AlogP: 0.24 Num_rotatable_bonds: 27
MolWt: 2564.17 Num_heavy_atoms: 183
TPSA: 1089.01 NumAromaticRings: 13

Unique Aglycone
AD52108
Formula: C96H74O43

Smiles:
O=C(OC1Cc2c(cc(O)c(C3c4c(cc(O)c(C5c6c(ccc(C7c8c(cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10ccc(O)c(O)c%10)C9O)c8O)OC(c8ccc(O)c(O)c8)C7O)c6O)OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4O)OC(c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2O)OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 43 RingCount: 18
HBD: 32 FractionCSP3: 0.16
AlogP: 9.99 Num_rotatable_bonds: 15
MolWt: 1915.61 Num_heavy_atoms: 139
TPSA: 772.41 NumAromaticRings: 13

Sugarmoiety
SD04837

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