Glycoside
...
GD141132

Name:
None

Formula:
C63H102O11

Smiles:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(COC1OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(O)C1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC

Aglycone:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC.CCCCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 3 FractionCSP3: 0.67
AlogP: 14.58 Num_rotatable_bonds: 47
MolWt: 1035.5 Num_heavy_atoms: 74
TPSA: 158.05 NumAromaticRings: 0

Unique Aglycone
AD02574
Formula: C19H38O2

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.95
AlogP: 6.42 Num_rotatable_bonds: 16
MolWt: 298.51 Num_heavy_atoms: 21
TPSA: 26.3 NumAromaticRings: 0
AD08132
Formula: C39H58O5

Smiles:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC
HBA: 5 RingCount: 0
HBD: 1 FractionCSP3: 0.49
AlogP: 9.94 Num_rotatable_bonds: 27
MolWt: 606.89 Num_heavy_atoms: 44
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O