Glycoside
GD119394
Name:
2-(2-{[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H17O6N5Br2Smiles:
OCC1OC(n2cnc3c[nH]c(=NCc4cc(O)c(O)c(Br)c4Br)nc32)C(O)C1OAglycone:
Oc1cc(CN=c2nc3c(c[nH]2)N=C[N]3)c(Br)c(Br)c1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 547.16 | Num_heavy_atoms: | 30 |
| TPSA: | 169.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD47825
Formula: C12H8O2N5Br2
Smiles:
Oc1cc(CN=c2nc3c(c[nH]2)N=C[N]3)c(Br)c(Br)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.04 | Num_heavy_atoms: | 21 |
| TPSA: | 107.96 | NumAromaticRings: | 2 |
