Glycoside
...
GD024983

Name:
None

Formula:
C34H58O13

Smiles:
CCCCCCCCO[C@@H]1O[C@H](C)[C@H](OC(=O)CCCCC)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(=O)CCC)[C@H]2OC(C)=O)[C@H]1O

Aglycone:
CCCC(=O)O.CCCCCC(=O)O.CCCCCCCCO

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)C(C)OC(O)C2O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.88
AlogP: 4.67 Num_rotatable_bonds: 20
MolWt: 674.83 Num_heavy_atoms: 47
TPSA: 162.35 NumAromaticRings: 0

Unique Aglycone
AD00023
Formula: C8H18O

Smiles:
CCCCCCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 2.34 Num_rotatable_bonds: 6
MolWt: 130.23 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 0
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00053

CC(=O)OC1C(C)OC(OC2C(O)C(C)OC(O)C2O)C(OC(C)=O)C1O