Glycoside
GD033980
Name:
NoneFormula:
C22H23O7N6PCl2Smiles:
CN(C[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1O)C(=O)CP(=O)(O)OAglycone:
CN(C)C(=O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 561.32 | Num_heavy_atoms: | 36 |
| TPSA: | 183.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD01715
Formula: C14H8N5Cl2
Smiles:
Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD21649
Formula: C4H10O4NP
Smiles:
CN(C)C(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.1 | Num_heavy_atoms: | 10 |
| TPSA: | 77.84 | NumAromaticRings: | 0 |
