Glycoside
GD033621
Name:
NoneFormula:
C19H27O9N5PClSmiles:
O=P(O)(O)C(CO)(CO)OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COC(CO)(CO)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.87 | Num_heavy_atoms: | 34 |
| TPSA: | 212.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD07274
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD21446
Formula: C4H11O6P
Smiles:
COC(CO)(CO)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 186.1 | Num_heavy_atoms: | 11 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
