Glycoside
GD102675
Name:
NoneFormula:
C22H27O6N5Smiles:
CCC(CC)(C(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Aglycone:
CCC(CC)(C(=O)Nc1ncnc2[nH]c(=O)[nH]c12)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.49 | Num_heavy_atoms: | 33 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43469
Formula: C17H19O2N5
Smiles:
CCC(CC)(C(=O)Nc1ncnc2[nH]c(=O)[nH]c12)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 325.37 | Num_heavy_atoms: | 24 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
