Glycoside
GD033623
Name:
NoneFormula:
C32H39O9N7Smiles:
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)nc1OCOC(=O)CCCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)nc1OCOC(=O)CCCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 665.7 | Num_heavy_atoms: | 48 |
| TPSA: | 230.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD21447
Formula: C26H28O4N7
Smiles:
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)nc1OCOC(=O)CCCC1=C[N]N=N1| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.56 | Num_heavy_atoms: | 37 |
| TPSA: | 148.78 | NumAromaticRings: | 3 |
