Glycoside
...
GD157448

Name:
4-{[4-({3-[(4-{[6-carboxy-5-({2-carboxy-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-({2-carboxy-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl}oxy)-6-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-hydroxyoxane-2-carboxylic acid

Formula:
C66H102O57

Smiles:
CC1(C(=O)O)OCC2OC(OC3C(C(=O)O)OC(OC4C(O)C(CO)OC(OC5C(OC6C(O)C(CO)OC(OC7C(O)C(OC8C(O)C(CO)OC(OC9C(OC%10C(O)C(O)OC(CO)C%10O)OC(CO)C(O)C9O)C8O)OC(C(=O)O)C7OC7OC8COC(C)(C(=O)O)OC8C(O)C7O)C6O)OC(CO)C(O)C5O)C4O)C(O)C3O)C(O)C(O)C2O1

Aglycone:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1.CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1

Sugarmoiety:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)C(CO)OC(OC5C(O)C(OC6C(O)C(CO)OC(OC7C(OC8C(O)C(O)OC(CO)C8O)OC(CO)C(O)C7O)C6O)OC(C(=O)O)C5O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 57 RingCount: 12
HBD: 30 FractionCSP3: 0.94
AlogP: -20.89 Num_rotatable_bonds: 28
MolWt: 1807.49 Num_heavy_atoms: 123
TPSA: 887.47 NumAromaticRings: 0

Unique Aglycone
AD23779
Formula: C9H14O8

Smiles:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.89
AlogP: -2.36 Num_rotatable_bonds: 1
MolWt: 250.2 Num_heavy_atoms: 17
TPSA: 125.68 NumAromaticRings: 0

Sugarmoiety
SD10582

O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(OC4C(O)C(CO)OC(OC5C(O)C(OC6C(O)C(CO)OC(OC7C(OC8C(O)C(O)OC(CO)C8O)OC(CO)C(O)C7O)C6O)OC(C(=O)O)C5O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O