Glycoside

GD013156
Name:
NoneFormula:
C25H31O4N9SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cnn(Cc3ccccc3)c2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)NCc1cnn(Cc2ccccc2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther 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]2HBA: | 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)c1HBA: | 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 |