Glycoside
GD037417
Name:
NoneFormula:
C21H30O9N6Smiles:
CNC(=O)[C@H](O)C(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(O)C(C)(C)COC(=O)CCC(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.5 | Num_heavy_atoms: | 36 |
| TPSA: | 221.24 | NumAromaticRings: | 2 |
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 |
AD23574
Formula: C12H21O6N
Smiles:
CNC(=O)C(O)C(C)(C)COC(=O)CCC(=O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.3 | Num_heavy_atoms: | 19 |
| TPSA: | 101.93 | NumAromaticRings: | 0 |
