Glycoside
...
GD087658

Name:
None

Formula:
C14H24O8N4S2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cc(N3CCSCC3)ncn2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cc(N2CCSCC2)ncn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.71
AlogP: -0.6 Num_rotatable_bonds: 6
MolWt: 440.5 Num_heavy_atoms: 28
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
AD31679
Formula: C8H12N4S

Smiles:
Nc1cc(N2CCSCC2)ncn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.61 Num_rotatable_bonds: 1
MolWt: 196.28 Num_heavy_atoms: 13
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00017

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