Glycoside
GD037109
Name:
NoneFormula:
C18H22O7N6PClSmiles:
N#CC(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
COC(C#N)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.83 | Num_heavy_atoms: | 32 |
| TPSA: | 195.87 | 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 |
AD23400
Formula: C3H6O4NP
Smiles:
COC(C#N)P(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.06 | Num_heavy_atoms: | 9 |
| TPSA: | 90.55 | NumAromaticRings: | 0 |
