Glycoside
GD106626
Name:
NoneFormula:
C27H37O15N9P2SSmiles:
Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO[PH](O)(O)O[PH](O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)c3[nH]c(=O)[nH]c(=O)c3nc-2c(=S)c1CAglycone:
CO[PH](O)(O)O[PH](O)O.Cc1cc2n(C)c3[nH]c(=O)[nH]c(=O)c3nc-2c(=S)c1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 821.66 | Num_heavy_atoms: | 54 |
| TPSA: | 372.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD44108
Formula: CH9O6P2
Smiles:
CO[PH](O)(O)O[PH](O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.03 | Num_heavy_atoms: | 9 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
AD44193
Formula: C13H12O2N4S
Smiles:
Cc1cc2n(C)c3[nH]c(=O)[nH]c(=O)c3nc-2c(=S)c1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.33 | Num_heavy_atoms: | 20 |
| TPSA: | 83.54 | NumAromaticRings: | 1 |
