Glycoside
...
GD134108

Name:
None

Formula:
C62H104O20

Smiles:
CCCCCCCCC(C)CCCCCCCC(=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)CCCCCCCC(C)CCCCCCCC

Aglycone:
CC(=O)OC1C(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCCCCCCCC(C)CCCCCCCC(=O)O.CCCCCCCCC(C)CCCCCCCC(=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: 11.32 Num_rotatable_bonds: 42
MolWt: 1169.49 Num_heavy_atoms: 82
TPSA: 255.16 NumAromaticRings: 0

Unique Aglycone
AD47310
Formula: C18H36O2

Smiles:
CCCCCCCCC(C)CCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 6.19 Num_rotatable_bonds: 15
MolWt: 284.48 Num_heavy_atoms: 20
TPSA: 37.3 NumAromaticRings: 0
AD47311
Formula: C19H38O2

Smiles:
CCCCCCCCC(C)CCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.95
AlogP: 6.28 Num_rotatable_bonds: 15
MolWt: 298.51 Num_heavy_atoms: 21
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