Glycoside
...
GD038758

Name:
carba-nicotinamide-adenine-dinucleotide

Formula:
C22H30O13N7P2

Smiles:
NC(=O)c1ccc[n+]([C@@H]2C[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

Aglycone:
COP(=O)(O)OP(=O)(O)OCC1CC([n+]2cccc(C(N)=O)c2)C(O)C1O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 10 FractionCSP3: 0.5
AlogP: -2.35 Num_rotatable_bonds: 11
MolWt: 662.47 Num_heavy_atoms: 44
TPSA: 309.03 NumAromaticRings: 3

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
AD24128
Formula: C13H21O10N2P2

Smiles:
COP(=O)(O)OP(=O)(O)OCC1CC([n+]2cccc(C(N)=O)c2)C(O)C1O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.54
AlogP: -0.76 Num_rotatable_bonds: 8
MolWt: 427.26 Num_heavy_atoms: 27
TPSA: 189.72 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O