Glycoside
GD114885
Name:
2-(6-amino-8-{[5-({6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-8-yl}amino)pentyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C25H36O8N12Smiles:
Nc1ncnc2c1[nH]c(=NCCCCCN=c1[nH]c3c(N)ncnc3n1C1OC(CO)C(O)C1O)n2C1OC(CO)C(O)C1OAglycone:
Nc1ncnc2c1NC(=NCCCCCN=C1[N]c3ncnc(N)c3N1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.6 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 632.64 | Num_heavy_atoms: | 45 |
| TPSA: | 309.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD45340
Formula: C15H18N12
Smiles:
Nc1ncnc2c1NC(=NCCCCCN=C1[N]c3ncnc(N)c3N1)[N]2| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.39 | Num_heavy_atoms: | 27 |
| TPSA: | 180.58 | NumAromaticRings: | 2 |
