Glycoside
...
GD146863

Name:
None

Formula:
C44H80O12S

Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCC(C)C

Aglycone:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC(C)C.CS(=O)(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 4 FractionCSP3: 0.86
AlogP: 8.69 Num_rotatable_bonds: 36
MolWt: 833.18 Num_heavy_atoms: 57
TPSA: 186.12 NumAromaticRings: 0

Unique Aglycone
AD00013
Formula: CH4O3S

Smiles:
CS(=O)(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.5 Num_rotatable_bonds: 0
MolWt: 96.11 Num_heavy_atoms: 5
TPSA: 54.37 NumAromaticRings: 0
AD58853
Formula: C38H70O5

Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCC(C)C
HBA: 5 RingCount: 0
HBD: 1 FractionCSP3: 0.84
AlogP: 10.97 Num_rotatable_bonds: 32
MolWt: 606.97 Num_heavy_atoms: 43
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O