Glycoside
GD029754
Name:
NoneFormula:
C27H43O6N5Smiles:
CCCC(CCC)C(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)C(CCC)CCC)[C@]1(C)OAglycone:
CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC1(O)OC(O)OC1COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 14 |
| MolWt: | 533.67 | Num_heavy_atoms: | 38 |
| TPSA: | 151.68 | 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 |
AD02630
Formula: C9H18O2
Smiles:
CCCC(CCC)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD05222
Formula: C8H16O2
Smiles:
CCCC(CCC)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
