Glycoside
GD023095
Name:
NoneFormula:
C16H16O14NP3Cl2Smiles:
O=c1c2cc(Cl)c(Cl)cc2ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=c1[nH]ccc2cc(Cl)c(Cl)cc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.1 | Num_heavy_atoms: | 34 |
| TPSA: | 231.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD15576
Formula: C11H5ONCl2
Smiles:
O=c1[nH]ccc2cc(Cl)c(Cl)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.05 | Num_heavy_atoms: | 13 |
| TPSA: | 32.86 | NumAromaticRings: | 2 |
