Glycoside
GD025797
Name:
NoneFormula:
C12H14O14N2P3Cl2BrSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]2O)cc1BrAglycone:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O.O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 629.95 | Num_heavy_atoms: | 32 |
| TPSA: | 255.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00072
Formula: C4H7O9P3Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.9 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
