Glycoside
GD031779
Name:
NoneFormula:
C21H22O6N8Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NCCC(=O)Nc2cccc3c2CNC3=O)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCC(=O)Nc1cccc2c1CNC2=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.46 | Num_heavy_atoms: | 35 |
| TPSA: | 206.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20452
Formula: C12H13O3N3
Smiles:
O=CNCCC(=O)Nc1cccc2c1CNC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.3 | NumAromaticRings: | 1 |
