Glycoside
GD126779
Name:
NoneFormula:
C15H22O6N6Smiles:
[O-][NH+](O)OCC1OC(n2cnc3c(NC4CCCC4)ncnc32)C(O)C1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.CO[NH+]([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.38 | Num_heavy_atoms: | 27 |
| TPSA: | 162.28 | 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 |
AD51310
Formula: CH5O3N
Smiles:
CO[NH+]([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 79.05 | Num_heavy_atoms: | 5 |
| TPSA: | 56.96 | NumAromaticRings: | 0 |
