Glycoside
...
GD123642

Name:
methyl 5-{2,5,5,8a-tetramethyl-6-[(3-methylbut-2-enoyl)oxy]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-3-methylpentanoate

Formula:
C32H52O9

Smiles:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(OC3OC(C)C(O)C(O)C3O)CC12C

Aglycone:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 3 FractionCSP3: 0.81
AlogP: 4.08 Num_rotatable_bonds: 9
MolWt: 580.76 Num_heavy_atoms: 41
TPSA: 131.75 NumAromaticRings: 0

Unique Aglycone
AD49915
Formula: C26H42O5

Smiles:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12C
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.77
AlogP: 5.22 Num_rotatable_bonds: 7
MolWt: 434.62 Num_heavy_atoms: 31
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O