Glycoside
...
GD138101

Name:
35‐O‐Β– 3,5‐Anhydrogalacturonopyranosylbacteriohopanetetrol

Formula:
C41H68O9

Smiles:
CC(CCC(O)C(O)C(O)COC1OC2C(=O)OC(C1O)C2O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

Aglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.O=C1OC2C(O)C(O)OC1C2O

Sugarmoiety:
OCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.98
AlogP: 5.37 Num_rotatable_bonds: 9
MolWt: 704.99 Num_heavy_atoms: 50
TPSA: 145.91 NumAromaticRings: 0

Unique Aglycone
AD09499
Formula: C31H54

Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
HBA: 0 RingCount: 5
HBD: 0 FractionCSP3: 1.0
AlogP: 9.52 Num_rotatable_bonds: 2
MolWt: 426.77 Num_heavy_atoms: 31
TPSA: 0.0 NumAromaticRings: 0
AD54207
Formula: C6H8O6

Smiles:
O=C1OC2C(O)C(O)OC1C2O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.83
AlogP: -2.65 Num_rotatable_bonds: 0
MolWt: 176.12 Num_heavy_atoms: 12
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00255

OCC(O)C(O)C(O)O