Glycoside
GD037334
Name:
NoneFormula:
C18H24O7N4PClSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COCP(=O)(O)O.Clc1cc(NC2CCCC2)c2c(n1)[N]N=C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.83 | Num_heavy_atoms: | 30 |
| TPSA: | 159.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23528
Formula: C12H12N4Cl
Smiles:
Clc1cc(NC2CCCC2)c2c(n1)[N]N=C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.7 | Num_heavy_atoms: | 16 |
| TPSA: | 51.38 | NumAromaticRings: | 1 |
