Glycoside
GD028400
Name:
NoneFormula:
C16H16O7N4PBrSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(-c4cccc(Br)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1cccc(-c2ncnc3c2N=C[N]3)c1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 487.2 | Num_heavy_atoms: | 29 |
| TPSA: | 160.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD18559
Formula: C11H6N4Br
Smiles:
Brc1cccc(-c2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.1 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
