Glycoside
GD014762
Name:
NoneFormula:
C22H31O8N7SSmiles:
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](C=CC(=O)N[C@H](CC(=O)O)C(=O)O)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NC(CC(=O)O)C(=O)O.CCCCNc1nc(SCCC)nc2c1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 553.6 | Num_heavy_atoms: | 38 |
| TPSA: | 221.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD10816
Formula: C7H9O5N
Smiles:
C=CC(=O)NC(CC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 187.15 | Num_heavy_atoms: | 13 |
| TPSA: | 103.7 | NumAromaticRings: | 0 |
AD10817
Formula: C11H17N6S
Smiles:
CCCCNc1nc(SCCC)nc2c1N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 265.37 | Num_heavy_atoms: | 18 |
| TPSA: | 76.63 | NumAromaticRings: | 1 |
