Glycoside
GD034562
Name:
NoneFormula:
C18H23O7N9PClSmiles:
O=P(O)(O)C(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)c1nn[nH]n1Aglycone:
COC(c1nn[nH]n1)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.85 | Num_heavy_atoms: | 35 |
| TPSA: | 226.54 | NumAromaticRings: | 3 |
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 |
AD21962
Formula: C3H7O4N4P
Smiles:
COC(c1nn[nH]n1)P(=O)(O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.09 | Num_heavy_atoms: | 12 |
| TPSA: | 121.22 | NumAromaticRings: | 1 |
