Glycoside
...
GD138798

Name:
bacteriohopanehexol

Formula:
C47H74O12

Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C1CCC2(C)C1CCC1(C)C2CC(OC(C)=O)C2C3(C)CCCC(C)(C)C3C(OC(C)=O)CC21C)OC(C)=O

Aglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CC(OC(C)=O)C2C3(C)CCCC(C)(C)C3C(OC(C)=O)CC21C

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.87
AlogP: 8.34 Num_rotatable_bonds: 13
MolWt: 831.1 Num_heavy_atoms: 59
TPSA: 157.8 NumAromaticRings: 0

Unique Aglycone
AD56000
Formula: C35H58O4

Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CC(OC(C)=O)C2C3(C)CCCC(C)(C)C3C(OC(C)=O)CC21C
HBA: 4 RingCount: 5
HBD: 0 FractionCSP3: 0.94
AlogP: 8.61 Num_rotatable_bonds: 4
MolWt: 542.85 Num_heavy_atoms: 39
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD00193

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O