Glycoside
...
GD130395

Name:
4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-[(1,12-dihydroxy-2,8,10-trimethyldodeca-2,6,10-trien-6-yl)oxy]oxan-3-yl 2-methylbut-2-enoate

Formula:
C32H48O12

Smiles:
CC=C(C)C(=O)OC1C(COC(C)=O)OC(OC(=CC(C)CC(C)=CCO)CCC=C(C)CO)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=CCCC(O)=CC(C)CC(C)=CCO)CO.CC=C(C)C(=O)O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 3.6 Num_rotatable_bonds: 16
MolWt: 624.72 Num_heavy_atoms: 44
TPSA: 164.12 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD49669
Formula: C15H26O3

Smiles:
CC(=CCCC(O)=CC(C)CC(C)=CCO)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: 3.11 Num_rotatable_bonds: 8
MolWt: 254.37 Num_heavy_atoms: 18
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O