Glycoside
...
GD094692

Name:
None

Formula:
C15H19O9N4ClS

Smiles:
Cn1c(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc2c(Cl)ncnc21

Aglycone:
COS(O)(O)O.Cn1c(C(N)=O)cc2c(Cl)ncnc21

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.5
AlogP: -0.69 Num_rotatable_bonds: 5
MolWt: 454.85 Num_heavy_atoms: 29
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
AD31567
Formula: C9H7ON4Cl

Smiles:
Cn1c(C(N)=O)cc2c(Cl)ncnc21
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.12
AlogP: 0.72 Num_rotatable_bonds: 1
MolWt: 210.62 Num_heavy_atoms: 14
TPSA: 73.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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