Glycoside
GD036296
Name:
NoneFormula:
C23H27O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](C#Cc2cccc(S(N)(=O)=O)c2)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CC(C#Cc1cccc(S(N)(=O)=O)c1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 545.58 | Num_heavy_atoms: | 38 |
| TPSA: | 242.79 | 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 |
AD22909
Formula: C14H18O4N2S
Smiles:
CC(C#Cc1cccc(S(N)(=O)=O)c1)CCC(N)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.38 | Num_heavy_atoms: | 21 |
| TPSA: | 123.48 | NumAromaticRings: | 1 |
