Glycoside
...
GD132105

Name:
7-{[7-({7-[(acetyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C50H64O29

Smiles:
CC(=O)OCC1=CCC2C(C(=O)OCC3=CCC4C(C(=O)OCC5=CCC6C(C(=O)O)=COC(OC7OC(CO)C(O)C(O)C7O)C56)=COC(OC5OC(CO)C(O)C(O)C5O)C34)=COC(OC3OC(CO)C(O)C(O)C3O)C12

Aglycone:
CC(=O)OCC1=CCC2C(C(=O)OCC3=CCC4C(C(=O)OCC5=CCC6C(C(=O)O)=COC(O)C56)=COC(O)C34)=COC(O)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 13 FractionCSP3: 0.68
AlogP: -5.42 Num_rotatable_bonds: 18
MolWt: 1129.03 Num_heavy_atoms: 79
TPSA: 442.03 NumAromaticRings: 0

Unique Aglycone
AD53483
Formula: C32H34O14

Smiles:
CC(=O)OCC1=CCC2C(C(=O)OCC3=CCC4C(C(=O)OCC5=CCC6C(C(=O)O)=COC(O)C56)=COC(O)C34)=COC(O)C12
HBA: 14 RingCount: 6
HBD: 4 FractionCSP3: 0.5
AlogP: 1.11 Num_rotatable_bonds: 9
MolWt: 642.61 Num_heavy_atoms: 46
TPSA: 204.58 NumAromaticRings: 0

Sugarmoiety
SD00130

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O