Glycoside
...
GD140228

Name:
None

Formula:
C20H29O23NS2

Smiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)=CC(O)C1O

Aglycone:
COS(=O)(=O)O.O=C(O)C1=CC(O)C(O)C(O)O1.O=S(=O)(O)O

Sugarmoiety:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 10 FractionCSP3: 0.75
AlogP: -5.6 Num_rotatable_bonds: 12
MolWt: 715.57 Num_heavy_atoms: 46
TPSA: 381.69 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
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD03451
Formula: C6H8O6

Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.5
AlogP: -1.97 Num_rotatable_bonds: 1
MolWt: 176.12 Num_heavy_atoms: 12
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD08128

CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(O)C(O)C1O