Glycoside
...
GD013156

Name:
None

Formula:
C25H31O4N9S

Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cnn(Cc3ccccc3)c2)[C@H](O)[C@H]1O

Aglycone:
CSCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.4
AlogP: 0.04 Num_rotatable_bonds: 11
MolWt: 553.65 Num_heavy_atoms: 39
TPSA: 192.25 NumAromaticRings: 4

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
AD09853
Formula: C16H22ON4S

Smiles:
CSCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.38
AlogP: 1.63 Num_rotatable_bonds: 8
MolWt: 318.45 Num_heavy_atoms: 22
TPSA: 72.94 NumAromaticRings: 2

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O