Glycoside
...
GD004092

Name:
None

Formula:
C16H28O23N2S5

Smiles:
O=C(CN(CCOS(=O)(=O)O)C(=O)C1OC(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)NC1CCCCC1

Aglycone:
O=CN(CCOS(=O)(=O)O)CC(=O)NC1CCCCC1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 2
HBD: 6 FractionCSP3: 0.88
AlogP: -3.81 Num_rotatable_bonds: 16
MolWt: 776.73 Num_heavy_atoms: 46
TPSA: 376.64 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
AD03627
Formula: C11H20O6N2S

Smiles:
O=CN(CCOS(=O)(=O)O)CC(=O)NC1CCCCC1
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.82
AlogP: -0.29 Num_rotatable_bonds: 8
MolWt: 308.36 Num_heavy_atoms: 20
TPSA: 113.01 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O