Glycoside
GD116526
Name:
2-(2-{6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-8-yl}hydrazin-1-ylidene)-5-bromo-1-(3-phenylprop-2-en-1-yl)-2,3-dihydro-1H-indol-3-oneFormula:
C27H25O5N8BrSmiles:
Nc1ncnc2c1nc(NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)n2C1OC(CO)C(O)C1OAglycone:
Nc1ncnc2c1N=C(NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 621.45 | Num_heavy_atoms: | 41 |
| TPSA: | 184.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD46290
Formula: C22H16ON8Br
Smiles:
Nc1ncnc2c1N=C(NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.33 | Num_heavy_atoms: | 32 |
| TPSA: | 122.96 | NumAromaticRings: | 3 |
