Glycoside
GD028251
Name:
NoneFormula:
C24H30O7N6Smiles:
COC(=O)c1cccc(CN(CCCCC(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cccc(CN(C)CCCCC(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 514.54 | Num_heavy_atoms: | 37 |
| TPSA: | 186.15 | 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 |
AD18485
Formula: C15H21O4N
Smiles:
COC(=O)c1cccc(CN(C)CCCCC(=O)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 279.34 | Num_heavy_atoms: | 20 |
| TPSA: | 66.84 | NumAromaticRings: | 1 |
