Glycoside
...
GD121251

Name:
None

Formula:
C18H31O14NS

Smiles:
CCC1C(C(=O)O)OC(COC2C(N=C(C)O)C(OC)OC(CO)C2OS(=O)(=O)O)C(O)C1O

Aglycone:
CCC1C(C(=O)O)OC(CO)C(O)C1O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(CO)C(O)C(O)C1N=C(C)O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 6 FractionCSP3: 0.89
AlogP: -2.13 Num_rotatable_bonds: 10
MolWt: 517.51 Num_heavy_atoms: 34
TPSA: 231.1 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
AD48788
Formula: C9H16O6

Smiles:
CCC1C(C(=O)O)OC(CO)C(O)C1O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.89
AlogP: -1.42 Num_rotatable_bonds: 3
MolWt: 220.22 Num_heavy_atoms: 15
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD05785

COC1OC(CO)C(O)C(O)C1N=C(C)O