Glycoside
...
GD126156

Name:
None

Formula:
C23H40O9

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

Aglycone:
CC(C)C(=O)O.CC(C)CCC(=O)O.CCC(C)CCC(=O)O

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

Other Identifiers

Properties
HBA: 9 RingCount: 1
HBD: 2 FractionCSP3: 0.87
AlogP: 2.35 Num_rotatable_bonds: 12
MolWt: 460.56 Num_heavy_atoms: 32
TPSA: 128.59 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD50140
Formula: C6H12O2

Smiles:
CC(C)CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.51 Num_rotatable_bonds: 3
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD51031
Formula: C7H14O2

Smiles:
CCC(C)CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 1.9 Num_rotatable_bonds: 4
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00003

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