Glycoside
...
GD087440

Name:
None

Formula:
C15H22O9N4S

Smiles:
Cc1cc(C)n2ncc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2n1

Aglycone:
COS(O)(O)O.Cc1cc(C)n2ncc(C(N)=O)c2n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.53
AlogP: -0.96 Num_rotatable_bonds: 5
MolWt: 434.43 Num_heavy_atoms: 29
TPSA: 199.13 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
AD31536
Formula: C9H10ON4

Smiles:
Cc1cc(C)n2ncc(C(N)=O)c2n1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.22
AlogP: 0.45 Num_rotatable_bonds: 1
MolWt: 190.21 Num_heavy_atoms: 14
TPSA: 73.28 NumAromaticRings: 2

Sugarmoiety
SD00017

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