Glycoside
GD106226
Name:
NoneFormula:
C10H15O11N4P2BrSmiles:
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)OP(=O)(O)O.O=c1[nH]cnc2c1N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 509.1 | Num_heavy_atoms: | 28 |
| TPSA: | 229.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD27210
Formula: C5H2ON4Br
Smiles:
O=c1[nH]cnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.0 | Num_heavy_atoms: | 11 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD36266
Formula: CH8O7P2
Smiles:
CO[PH](O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
