Glycoside
...
GD006835

Name:
None

Formula:
C19H34O21N2S4

Smiles:
CO[C@@H]1O[C@H](COCC(=O)N(CCOS(=O)(=O)O)CC(=O)NC2CCCCC2)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
COCC(=O)N(CCOS(=O)(=O)O)CC(=O)NC1CCCCC1.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: 23 RingCount: 2
HBD: 5 FractionCSP3: 0.89
AlogP: -2.96 Num_rotatable_bonds: 18
MolWt: 754.74 Num_heavy_atoms: 46
TPSA: 331.5 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
AD05615
Formula: C13H24O7N2S

Smiles:
COCC(=O)N(CCOS(=O)(=O)O)CC(=O)NC1CCCCC1
HBA: 9 RingCount: 1
HBD: 2 FractionCSP3: 0.85
AlogP: -0.27 Num_rotatable_bonds: 9
MolWt: 352.41 Num_heavy_atoms: 23
TPSA: 122.24 NumAromaticRings: 0

Sugarmoiety
SD00009

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