Glycoside
GD126451
Name:
N-(2-aminoethyl)-2-(3-{2-[4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)phenyl]acetamido}phenyl)acetamideFormula:
C28H32O6N8Smiles:
NCCN=C(O)Cc1cccc(N=C(O)Cc2ccc(Nc3ncnc4c3ncn4C3OC(CO)C(O)C3O)cc2)c1Aglycone:
NCCN=C(O)Cc1cccc(N=C(O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 576.61 | Num_heavy_atoms: | 42 |
| TPSA: | 216.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD51168
Formula: C23H23O2N8
Smiles:
NCCN=C(O)Cc1cccc(N=C(O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 443.49 | Num_heavy_atoms: | 33 |
| TPSA: | 155.47 | NumAromaticRings: | 3 |
