Glycoside
GD028770
Name:
NoneFormula:
C22H26O7N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCC(=O)O)Cc2cccc(C(=O)O)c2)[C@H](O)[C@H]1OAglycone:
CN(CCCC(=O)O)Cc1cccc(C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 486.49 | Num_heavy_atoms: | 35 |
| TPSA: | 197.15 | 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 |
AD18758
Formula: C13H17O4N
Smiles:
CN(CCCC(=O)O)Cc1cccc(C(=O)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 251.28 | Num_heavy_atoms: | 18 |
| TPSA: | 77.84 | NumAromaticRings: | 1 |
