Glycoside
GD025941
Name:
NoneFormula:
C19H27O11N6P2ClSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O[C@@H]3CC[C@H](NC(=O)CCl)C3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CP(=O)(O)OC1CCC(NC(=O)CCl)C1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 600.85 | Num_heavy_atoms: | 38 |
| TPSA: | 261.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD17142
Formula: C10H18O7NP2Cl
Smiles:
COP(=O)(O)CP(=O)(O)OC1CCC(NC(=O)CCl)C1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.64 | Num_heavy_atoms: | 20 |
| TPSA: | 122.16 | NumAromaticRings: | 0 |
