Glycoside
...
GD157583

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

Formula:
C95H80O48

Smiles:
O=C(OC1Cc2c(cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(OC%11OC(CO)C(O)C(O)C%11O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(c4cc(O)c(O)c(O)c4)C3O)c2O)OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Aglycone:
O=C(OC1Cc2c(cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(c4cc(O)c(O)c(O)c4)C3O)c2O)OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 48 RingCount: 18
HBD: 37 FractionCSP3: 0.22
AlogP: 5.31 Num_rotatable_bonds: 16
MolWt: 1989.64 Num_heavy_atoms: 143
TPSA: 865.72 NumAromaticRings: 12

Unique Aglycone
AD62292
Formula: C89H70O43

Smiles:
O=C(OC1Cc2c(cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8cc(O)c(O)c(O)c8)C7O)c6OC(c6cc(O)c(O)c(O)c6)C5O)c4OC(c4cc(O)c(O)c(O)c4)C3O)c2O)OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 43 RingCount: 17
HBD: 34 FractionCSP3: 0.17
AlogP: 7.83 Num_rotatable_bonds: 13
MolWt: 1827.5 Num_heavy_atoms: 132
TPSA: 786.57 NumAromaticRings: 12

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O