Glycoside
GD022083
Name:
NoneFormula:
C12H14O8N4PClSmiles:
O=P(O)(O)OC[C@@H]1OC(n2cnc3c(O)nc(CCl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1nc(CCl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.68 | Num_heavy_atoms: | 25 |
| TPSA: | 180.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD15014
Formula: C7H4ON4Cl
Smiles:
Oc1nc(CCl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.58 | Num_heavy_atoms: | 12 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
