Glycoside
...
GD122233

Name:
None

Formula:
C34H58O13S

Smiles:
CC(C)C(=CCOC1OCC(OS(=O)(=O)O)C(O)C1O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O

Aglycone:
CC(C)C(=CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O.O=S(=O)(O)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.94
AlogP: 1.31 Num_rotatable_bonds: 10
MolWt: 706.89 Num_heavy_atoms: 48
TPSA: 223.67 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD46180
Formula: C29H50O6

Smiles:
CC(C)C(=CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 3.02 Num_rotatable_bonds: 6
MolWt: 494.71 Num_heavy_atoms: 35
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O