Glycoside
GD019238
Name:
NoneFormula:
C27H32O10N4Smiles:
Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@@H](CC(=O)O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)CC3)cc1)CCO2Aglycone:
Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 572.57 | Num_heavy_atoms: | 41 |
| TPSA: | 214.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD13453
Formula: C21H24O4N4
Smiles:
Nc1ncnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.45 | Num_heavy_atoms: | 29 |
| TPSA: | 118.64 | NumAromaticRings: | 2 |
