Glycoside
...
GD129826

Name:
3-{[6-carboxy-5-({6-carboxy-5-[(6-carboxy-5-{[6-carboxy-5-({6-carboxy-5-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-6-({2-carboxy-6-[(2-carboxy-6-{[2-carboxy-6-({2-carboxy-6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxane-2-carboxylic acid

Formula:
C72H98O72

Smiles:
O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1

Aglycone:
[empty]

Sugarmoiety:
O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1

Other Identifiers

Properties
HBA: 72 RingCount: 12
HBD: 37 FractionCSP3: 0.83
AlogP: -25.02 Num_rotatable_bonds: 34
MolWt: 2115.5 Num_heavy_atoms: 144
TPSA: 1165.64 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD07141

O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1