Glycoside
GD010094
Name:
NoneFormula:
C23H35O5N5Smiles:
CCCCCCCC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.CCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 461.56 | Num_heavy_atoms: | 33 |
| TPSA: | 131.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD01605
Formula: C9H18O2
Smiles:
CCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
