Glycoside
GD011407
Name:
NoneFormula:
C23H30O8N5PSmiles:
COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@H](C)[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@](C)(O)[C@H]1OAglycone:
CCOP(=O)(NC(C)C(=O)OC)Oc1ccccc1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 535.49 | Num_heavy_atoms: | 37 |
| TPSA: | 180.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD08725
Formula: C12H18O5NP
Smiles:
CCOP(=O)(NC(C)C(=O)OC)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 287.25 | Num_heavy_atoms: | 19 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
