Glycoside
...
GD096607

Name:
None

Formula:
C17H20O8N4S2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ncnc3c(-c4ccccc4)nsc23)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncnc2c(-c3ccccc3)nsc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.35
AlogP: 1.13 Num_rotatable_bonds: 6
MolWt: 472.5 Num_heavy_atoms: 31
TPSA: 190.54 NumAromaticRings: 3

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
AD41077
Formula: C11H8N4S

Smiles:
Nc1ncnc2c(-c3ccccc3)nsc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.34 Num_rotatable_bonds: 1
MolWt: 228.28 Num_heavy_atoms: 16
TPSA: 64.69 NumAromaticRings: 3

Sugarmoiety
SD00017

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