Glycoside
...
GD080016

Name:
None

Formula:
C14H24O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cncc(N3CCCC3)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cncc(N2CCCC2)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.71
AlogP: -0.55 Num_rotatable_bonds: 6
MolWt: 408.43 Num_heavy_atoms: 27
TPSA: 180.89 NumAromaticRings: 1

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
AD27753
Formula: C8H12N4

Smiles:
Nc1cncc(N2CCCC2)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.66 Num_rotatable_bonds: 1
MolWt: 164.21 Num_heavy_atoms: 12
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00017

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