Glycoside
...
GD146464

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

Formula:
C66H84O38

Smiles:
CC(=O)OCC1=CCC2C(C(=O)OCC3=CCC4C(C(=O)OCC5=CCC6C(C(=O)OCC7=CCC8C(C(=O)O)=COC(OC9OC(CO)C(O)C(O)C9O)C78)=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)OCC7=CCC8C(C(=O)O)=COC(O)C78)=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.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 12
HBD: 17 FractionCSP3: 0.68
AlogP: -7.26 Num_rotatable_bonds: 24
MolWt: 1485.36 Num_heavy_atoms: 104
TPSA: 576.94 NumAromaticRings: 0

Unique Aglycone
AD58730
Formula: C42H44O18

Smiles:
CC(=O)OCC1=CCC2C(C(=O)OCC3=CCC4C(C(=O)OCC5=CCC6C(C(=O)OCC7=CCC8C(C(=O)O)=COC(O)C78)=COC(O)C56)=COC(O)C34)=COC(O)C12
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.5
AlogP: 1.44 Num_rotatable_bonds: 12
MolWt: 836.8 Num_heavy_atoms: 60
TPSA: 260.34 NumAromaticRings: 0

Sugarmoiety
SD00109

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