Glycoside
GD020279
Name:
NoneFormula:
C10H12O8N4PBrSmiles:
O=P(O)(O)OC[C@@H]1OC(n2c(Br)nc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.1 | Num_heavy_atoms: | 24 |
| TPSA: | 180.28 | NumAromaticRings: | 2 |
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 |
AD07593
Formula: C5H2ON4Br
Smiles:
Oc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.0 | Num_heavy_atoms: | 11 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
