Glycoside
...
GD144947

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

Formula:
C127H128O69

Smiles:
O=C(OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(Oc6cc(O)c7c(c6)OC(c6ccc(O)c(O)c6)C(O)C7c6c(O)cc(O)c7c6OC(c6cc(O)c(O)c(O)c6)C(O)C7c6c(O)cc(O)c7c6OC(c6ccc(O)c(O)c6)C(O)C7c6c(O)cc(O)c7c6OC(c6cc(O)c(O)c(O)c6)C(O)C7c6c(O)cc(O)c7c6OC(c6cc(O)c(O)c(O)c6)C(O)C7c6c(O)cc(O)c7c6OC(c6cc(O)c(O)c(O)c6)C(O)C7)C(O)C(O)C5O)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(c1ccc(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)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)C2

Sugarmoiety:
OC1OC(COC2OC(COC3OC(COC4OC(COC5OC(O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 69 RingCount: 24
HBD: 51 FractionCSP3: 0.38
AlogP: -2.64 Num_rotatable_bonds: 28
MolWt: 2758.35 Num_heavy_atoms: 196
TPSA: 1205.71 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
AD58210
Formula: C90H74O40

Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(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)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)C2
HBA: 40 RingCount: 18
HBD: 34 FractionCSP3: 0.2
AlogP: 7.61 Num_rotatable_bonds: 11
MolWt: 1795.54 Num_heavy_atoms: 130
TPSA: 743.2 NumAromaticRings: 12

Sugarmoiety
SD09147

OC1OC(COC2OC(COC3OC(COC4OC(COC5OC(O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O