Glycoside
GD001741
Name:
NoneFormula:
C22H34O7N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCN2CCC[C@H]2C(=O)O)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCCN1CCCC1C(=O)O)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 522.56 | Num_heavy_atoms: | 37 |
| TPSA: | 226.41 | NumAromaticRings: | 2 |
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 |
AD01712
Formula: C13H25O4N3
Smiles:
CN(CCCN1CCCC1C(=O)O)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 287.36 | Num_heavy_atoms: | 20 |
| TPSA: | 107.1 | NumAromaticRings: | 0 |
