Glycoside
...
GD142520

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

Formula:
C121H118O65

Smiles:
O=C(OCC1OC(OCC2OC(OCC3OC(OCC4OC(Oc5cc(O)c6c(c5)OC(c5cc(O)c(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5cc(O)c(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5cc(O)c(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5cc(O)c(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5cc(O)c(O)c(O)c5)C(O)C6c5c(O)cc(O)c6c5OC(c5ccc(O)c(O)c5)C(O)C6)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.Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2

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: 23
HBD: 49 FractionCSP3: 0.35
AlogP: -0.75 Num_rotatable_bonds: 25
MolWt: 2612.21 Num_heavy_atoms: 186
TPSA: 1146.79 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
AD57347
Formula: C90H74O41

Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2
HBA: 41 RingCount: 18
HBD: 35 FractionCSP3: 0.2
AlogP: 7.32 Num_rotatable_bonds: 11
MolWt: 1811.54 Num_heavy_atoms: 131
TPSA: 763.43 NumAromaticRings: 12

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