Glycoside
GD028633
Name:
NoneFormula:
C13H13O12N2P2Cl2Smiles:
COc1cn([C@@H]2O[C@H](COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-].COc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.08 | Num_heavy_atoms: | 29 |
| TPSA: | 226.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD01835
Formula: C5H6O3N2
Smiles:
COc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 74.95 | NumAromaticRings: | 1 |
AD13776
Formula: C4H3O6P2Cl2
Smiles:
COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-]| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 255.89 | Num_heavy_atoms: | 12 |
| TPSA: | 112.55 | NumAromaticRings: | 0 |
