Glycoside
...
GD095614

Name:
None

Formula:
C15H25O10N4S

Smiles:
C[NH+](C)/C=C/c1cc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ncc1[N+](=O)[O-]

Aglycone:
COS(O)(O)O.C[NH+](C)C=Cc1cc(N)ncc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 0.53
AlogP: -1.52 Num_rotatable_bonds: 8
MolWt: 453.45 Num_heavy_atoms: 30
TPSA: 212.34 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
AD40785
Formula: C9H13O2N4

Smiles:
C[NH+](C)C=Cc1cc(N)ncc1[N+](=O)[O-]
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: -0.31 Num_rotatable_bonds: 3
MolWt: 209.23 Num_heavy_atoms: 15
TPSA: 86.49 NumAromaticRings: 1

Sugarmoiety
SD00017

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