Glycoside
GD139376
Name:
2-(2-{6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-8-yl}hydrazin-1-ylidene)-5-bromo-1-propyl-2,3-dihydro-1H-indol-3-oneFormula:
C21H23O5N8BrSmiles:
CCCN1C(=NNc2nc3c(N)ncnc3n2C2OC(CO)C(O)C2O)C(=O)c2cc(Br)ccc21Aglycone:
CCCN1C(=NNC2=Nc3c(N)ncnc3[N]2)C(=O)c2cc(Br)ccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 547.37 | Num_heavy_atoms: | 35 |
| TPSA: | 184.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD56199
Formula: C16H14ON8Br
Smiles:
CCCN1C(=NNC2=Nc3c(N)ncnc3[N]2)C(=O)c2cc(Br)ccc21| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.25 | Num_heavy_atoms: | 26 |
| TPSA: | 122.96 | NumAromaticRings: | 2 |
