Glycoside
...
GD156304

Name:
3-[(5-{[4-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acid

Formula:
C42H68O38

Smiles:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 7
HBD: 23 FractionCSP3: 0.95
AlogP: -16.09 Num_rotatable_bonds: 19
MolWt: 1180.97 Num_heavy_atoms: 80
TPSA: 619.42 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD10444

O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O