Glycoside
...
GD120723

Name:
methyl 6-[(8-hydroxy-2,6-dimethylocta-2,6-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:
C27H40O12

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C(C)=CCCC(C)=CCO)C2C

Aglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(C)=CCCC(C)=CCO)C2C

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.7
AlogP: 0.07 Num_rotatable_bonds: 10
MolWt: 556.61 Num_heavy_atoms: 39
TPSA: 181.44 NumAromaticRings: 0

Unique Aglycone
AD48528
Formula: C21H30O7

Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(C)=CCCC(C)=CCO)C2C
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
SD00003

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