Glycoside
...
GD139134

Name:
None

Formula:
C60H100O20

Smiles:
CCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(=O)CCCCCCCCCCCCCCCC

Aglycone:
CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:
CC(=O)OC1OC(CO)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 0 FractionCSP3: 0.85
AlogP: 10.83 Num_rotatable_bonds: 42
MolWt: 1141.44 Num_heavy_atoms: 80
TPSA: 255.16 NumAromaticRings: 0

Unique Aglycone
AD07204
Formula: C17H34O2

Smiles:
CCCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.94 Num_rotatable_bonds: 15
MolWt: 270.46 Num_heavy_atoms: 19
TPSA: 37.3 NumAromaticRings: 0
AD17521
Formula: C18H36O2

Smiles:
CCCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 6.03 Num_rotatable_bonds: 15
MolWt: 284.48 Num_heavy_atoms: 20
TPSA: 26.3 NumAromaticRings: 0
AD53673
Formula: C16H22O11

Smiles:
CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
HBA: 11 RingCount: 1
HBD: 1 FractionCSP3: 0.69
AlogP: -0.98 Num_rotatable_bonds: 5
MolWt: 390.34 Num_heavy_atoms: 27
TPSA: 151.73 NumAromaticRings: 0

Sugarmoiety
SD07756

CC(=O)OC1OC(CO)OC(O)C1OC(C)=O