Glycoside
...
GD008150

Name:
None

Formula:
C13H24O20N2S4

Smiles:
CCN(CC(=O)NC[C@@H]1O[C@H](OC)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)C(=O)COS(=O)(=O)O

Aglycone:
CCN(CC(=O)NC)C(=O)COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 1
HBD: 5 FractionCSP3: 0.85
AlogP: -4.29 Num_rotatable_bonds: 15
MolWt: 656.6 Num_heavy_atoms: 39
TPSA: 322.27 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
AD06547
Formula: C7H14O6N2S

Smiles:
CCN(CC(=O)NC)C(=O)COS(=O)(=O)O
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -1.6 Num_rotatable_bonds: 6
MolWt: 254.26 Num_heavy_atoms: 16
TPSA: 113.01 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O