Glycoside
GD033005
Name:
NoneFormula:
C27H40O8N4Smiles:
CCCCC(=O)OC[C@@H]1O[C@H](n2cnc3c(OCC)ncnc32)[C@H](OC(=O)CCCC)[C@H]1OC(=O)CCCCAglycone:
CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)OC.CCOc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 16 |
| MolWt: | 548.64 | Num_heavy_atoms: | 39 |
| TPSA: | 140.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD07225
Formula: C6H12O2
Smiles:
CCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11617
Formula: C7H7ON4
Smiles:
CCOc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
