Glycoside
...
GD086603

Name:
None

Formula:
C16H26O9N3S

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1c[nH+]ccc1N1CCCC1

Aglycone:
COS(O)(O)O.NC(=O)c1c[nH+]ccc1N1CCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.62
AlogP: -1.21 Num_rotatable_bonds: 6
MolWt: 436.46 Num_heavy_atoms: 29
TPSA: 186.32 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD30531
Formula: C10H14ON3

Smiles:
NC(=O)c1c[nH+]ccc1N1CCCC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.4
AlogP: 0.2 Num_rotatable_bonds: 2
MolWt: 192.24 Num_heavy_atoms: 14
TPSA: 60.47 NumAromaticRings: 1

Sugarmoiety
SD00017

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