Glycoside
...
GD123705

Name:
2-{[3-hydroxy-6-({6-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-4-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-2-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C40H68O33

Smiles:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 7
HBD: 20 FractionCSP3: 1.0
AlogP: -13.97 Num_rotatable_bonds: 16
MolWt: 1076.95 Num_heavy_atoms: 73
TPSA: 524.59 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD06185

CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1O