Glycoside
...
GD039548

Name:
Lipoyl-Amp

Formula:
C18H26O8N5PS2

Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OC(=O)CCCC[C@@H]2CCSS2)[C@H](O)[C@@H]1O

Aglycone:
COP(=O)(O)OC(=O)CCCCC1CCSS1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.67
AlogP: 1.4 Num_rotatable_bonds: 10
MolWt: 535.54 Num_heavy_atoms: 34
TPSA: 192.14 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD24449
Formula: C9H17O5PS2

Smiles:
COP(=O)(O)OC(=O)CCCCC1CCSS1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.89
AlogP: 2.99 Num_rotatable_bonds: 7
MolWt: 300.34 Num_heavy_atoms: 17
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O