Glycoside
...
GD079659

Name:
None

Formula:
C13H17O10N3S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2nonc2c1

Aglycone:
COS(O)(O)O.NC(=O)c1ccc2nonc2c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.46
AlogP: -1.08 Num_rotatable_bonds: 5
MolWt: 407.36 Num_heavy_atoms: 27
TPSA: 207.86 NumAromaticRings: 2

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
AD27522
Formula: C7H5O2N3

Smiles:
NC(=O)c1ccc2nonc2c1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.32 Num_rotatable_bonds: 1
MolWt: 163.14 Num_heavy_atoms: 12
TPSA: 82.01 NumAromaticRings: 2

Sugarmoiety
SD00017

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