Glycoside
...
GD148606

Name:
methyl 6-[(6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,6-dimethylocta-2,7-dienoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

Formula:
C38H58O21

Smiles:
C=CC(C)(CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C

Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 10 FractionCSP3: 0.79
AlogP: -3.65 Num_rotatable_bonds: 16
MolWt: 850.86 Num_heavy_atoms: 59
TPSA: 319.51 NumAromaticRings: 0

Unique Aglycone
AD45928
Formula: C21H30O7

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.62
AlogP: 2.24 Num_rotatable_bonds: 7
MolWt: 394.46 Num_heavy_atoms: 28
TPSA: 102.29 NumAromaticRings: 0

Sugarmoiety
SD03239

OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O