Glycoside
GD103421
Name:
NoneFormula:
C24H30O4N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N=C4CC[NH+](Cc5ccccc5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N=C2CC[NH+](Cc3ccccc3)CC2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.55 | Num_heavy_atoms: | 35 |
| TPSA: | 139.19 | 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 |
AD43779
Formula: C17H18N6
Smiles:
C1=Nc2c(ncnc2N=C2CC[NH+](Cc3ccccc3)CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.37 | Num_heavy_atoms: | 23 |
| TPSA: | 69.04 | NumAromaticRings: | 2 |
