Glycoside
GD032154
Name:
NoneFormula:
C22H31O4N9SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cc(C3CCC3)[nH]n2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)NCc1cc(C2CCC2)[nH]n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 517.62 | Num_heavy_atoms: | 36 |
| TPSA: | 203.11 | 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 |
AD20645
Formula: C13H22ON4S
Smiles:
CSCCC(N)C(=O)NCc1cc(C2CCC2)[nH]n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 282.41 | Num_heavy_atoms: | 19 |
| TPSA: | 83.8 | NumAromaticRings: | 1 |
