Glycoside
GD037004
Name:
NoneFormula:
C19H27O7N5Smiles:
CC(C)(C)COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)CCC(=O)OCC(C)(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.45 | Num_heavy_atoms: | 31 |
| TPSA: | 171.91 | 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 |
AD23339
Formula: C10H18O4
Smiles:
COC(=O)CCC(=O)OCC(C)(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.25 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
