Glycoside
...
GD133275

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

Formula:
C128H122O65

Smiles:
O=C(OCC1OC(OCC2OC(OCC3OC(OCC4OC(Oc5cc(O)c6c(c5)OC(c5ccc(O)c(O)c5)C(OC(=O)c5cc(O)c(O)c(O)c5)C6c5c(O)cc6c(c5O)C(c5c(O)cc7c(c5O)C(c5c(O)cc8c(c5O)C(c5c(O)cc9c(c5O)OC(c5ccc(O)c(O)c5)C(O)C9c5c(O)cc9c(c5O)OC(c5cc(O)c(O)c(O)c5)C(O)C9)C(O)C(c5ccc(O)c(O)c5)O8)C(O)C(c5ccc(O)c(O)c5)O7)C(O)C(c5ccc(O)c(O)c5)O6)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc2c(c1O)C(c1c(O)cc3c(c1O)C(c1c(O)cc4c(c1O)C(c1c(O)cc5c(c1O)OC(c1ccc(O)c(O)c1)C(O)C5c1c(O)cc5c(c1O)OC(c1cc(O)c(O)c(O)c1)C(O)C5)C(O)C(c1ccc(O)c(O)c1)O4)C(O)C(c1ccc(O)c(O)c1)O3)C(O)C(c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(COC2OC(COC3OC(COC4OC(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: 65 RingCount: 24
HBD: 47 FractionCSP3: 0.33
AlogP: 1.4 Num_rotatable_bonds: 27
MolWt: 2700.32 Num_heavy_atoms: 193
TPSA: 1132.63 NumAromaticRings: 14

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
AD53949
Formula: C97H78O41

Smiles:
O=C(OC1C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc2c(c1O)C(c1c(O)cc3c(c1O)C(c1c(O)cc4c(c1O)C(c1c(O)cc5c(c1O)OC(c1ccc(O)c(O)c1)C(O)C5c1c(O)cc5c(c1O)OC(c1cc(O)c(O)c(O)c1)C(O)C5)C(O)C(c1ccc(O)c(O)c1)O4)C(O)C(c1ccc(O)c(O)c1)O3)C(O)C(c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1
HBA: 41 RingCount: 19
HBD: 33 FractionCSP3: 0.19
AlogP: 9.48 Num_rotatable_bonds: 13
MolWt: 1899.65 Num_heavy_atoms: 138
TPSA: 749.27 NumAromaticRings: 13

Sugarmoiety
SD07630

OC1OC(COC2OC(COC3OC(COC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O