Glycoside
...
GD089373

Name:
None

Formula:
C17H27O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1[nH+]cnc2c1ccn2C1CCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.65
AlogP: 0.34 Num_rotatable_bonds: 6
MolWt: 447.49 Num_heavy_atoms: 30
TPSA: 183.83 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
AD38988
Formula: C11H15N4

Smiles:
Nc1[nH+]cnc2c1ccn2C1CCCC1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.45
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 203.27 Num_heavy_atoms: 15
TPSA: 57.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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