Glycoside
GD006294
Name:
NoneFormula:
C35H57O7N5Smiles:
CCCC(CCC)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)C(CCC)CCC)[C@@](C)(O)[C@H]1OC(=O)C(CCC)CCCAglycone:
CCCC(CCC)C(=O)Nc1ncnc2c1N=C[N]2.CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)OCSugarmoiety:
CC1(O)OC(O)OC1COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 20 |
| MolWt: | 659.87 | Num_heavy_atoms: | 47 |
| TPSA: | 154.76 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD05221
Formula: C13H18ON5
Smiles:
CCCC(CCC)C(=O)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 260.32 | Num_heavy_atoms: | 19 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
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 |
