Glycoside
...
GD136676

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

Formula:
C136H120O70

Smiles:
O=C(OCC1OC(OCC2OC(OCC3OC(Oc4cc(O)c5c(c4)OC(c4cc(O)c(O)c(O)c4)C(OC(=O)c4cc(O)c(O)c(O)c4)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5c4c(O)cc(O)c5c4OC(c4cc(O)c(O)c(O)c4)C(OC(=O)c4cc(O)c(O)c(O)c4)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5c4c(O)cc(O)c5c4OC(c4cc(O)c(O)c(O)c4)C(OC(=O)c4cc(O)c(O)c(O)c4)C5c4c(O)cc(O)c5c4OC(c4ccc(O)c(O)c4)C(O)C5)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(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(COC2OC(COC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 70 RingCount: 25
HBD: 50 FractionCSP3: 0.26
AlogP: 4.95 Num_rotatable_bonds: 28
MolWt: 2874.39 Num_heavy_atoms: 206
TPSA: 1227.46 NumAromaticRings: 16

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
AD55253
Formula: C111H86O51

Smiles:
O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
HBA: 51 RingCount: 21
HBD: 39 FractionCSP3: 0.16
AlogP: 10.85 Num_rotatable_bonds: 17
MolWt: 2235.86 Num_heavy_atoms: 162
TPSA: 923.25 NumAromaticRings: 15

Sugarmoiety
SD08084

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