Glycoside
...
GD087271

Name:
None

Formula:
C16H22O9N4S

Smiles:
Cc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1-c1ccccn1

Aglycone:
COS(O)(O)O.Cc1cc(C(N)=O)nn1-c1ccccn1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: -0.73 Num_rotatable_bonds: 6
MolWt: 446.44 Num_heavy_atoms: 30
TPSA: 199.65 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
AD38423
Formula: C10H10ON4

Smiles:
Cc1cc(C(N)=O)nn1-c1ccccn1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 0.67 Num_rotatable_bonds: 2
MolWt: 202.22 Num_heavy_atoms: 15
TPSA: 73.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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