Glycoside
...
GD096143

Name:
None

Formula:
C20H29O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncnc2c1CC[NH+](Cc1ccccc1)C2

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.5
AlogP: -1.01 Num_rotatable_bonds: 7
MolWt: 485.54 Num_heavy_atoms: 33
TPSA: 182.09 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
AD40895
Formula: C14H17N4

Smiles:
Nc1ncnc2c1CC[NH+](Cc1ccccc1)C2
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.29
AlogP: 0.2 Num_rotatable_bonds: 2
MolWt: 241.32 Num_heavy_atoms: 18
TPSA: 56.24 NumAromaticRings: 2

Sugarmoiety
SD00017

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