Glycoside
...
GD128689

Name:
7-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C26H40O12

Smiles:
CC(=CCCC(C)CCO)C(=O)OC1(C)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21

Aglycone:
CC(=CCCC(C)CCO)C(=O)OC1(C)CCC2C(C(=O)O)=COC(O)C21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.77
AlogP: 0.2 Num_rotatable_bonds: 11
MolWt: 544.59 Num_heavy_atoms: 38
TPSA: 192.44 NumAromaticRings: 0

Unique Aglycone
AD52126
Formula: C20H30O7

Smiles:
CC(=CCCC(C)CCO)C(=O)OC1(C)CCC2C(C(=O)O)=COC(O)C21
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.7
AlogP: 2.38 Num_rotatable_bonds: 8
MolWt: 382.45 Num_heavy_atoms: 27
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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