Glycoside
...
GD125973

Name:
8-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-2,6-dimethyloct-2-enoic acid

Formula:
C27H40O13

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC(C)CCC=C(C)C(=O)O

Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCC(C)CCC=C(C)C(=O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.67
AlogP: 0.55 Num_rotatable_bonds: 13
MolWt: 572.6 Num_heavy_atoms: 40
TPSA: 198.51 NumAromaticRings: 0

Unique Aglycone
AD46508
Formula: C21H30O8

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCC(C)CCC=C(C)C(=O)O
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.57
AlogP: 2.73 Num_rotatable_bonds: 10
MolWt: 410.46 Num_heavy_atoms: 29
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00003

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