Glycoside
GD103453
Name:
NoneFormula:
C23H30O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4cccc(C[NH+]5CCCC5)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2Nc2cccc(C[NH+]3CCCC3)c2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.54 | Num_heavy_atoms: | 34 |
| TPSA: | 138.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD43806
Formula: C16H18N6
Smiles:
C1=Nc2c(ncnc2Nc2cccc(C[NH+]3CCCC3)c2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.36 | Num_heavy_atoms: | 22 |
| TPSA: | 68.71 | NumAromaticRings: | 2 |
