Glycoside
GD030509
Name:
NoneFormula:
C18H23O9N5PClSmiles:
O=C(O)C(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
COC(C(=O)O)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 507.82 | Num_heavy_atoms: | 33 |
| TPSA: | 209.38 | 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 |
AD19742
Formula: C3H7O6P
Smiles:
COC(C(=O)O)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.06 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
