Glycoside
GD031890
Name:
NoneFormula:
C26H31O7N7Smiles:
O=C(CCCCCCC(=O)Nc1cccc2c1CNC2=O)NC[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCCCCCC(=O)Nc1cccc2c1CNC2=O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 553.58 | Num_heavy_atoms: | 40 |
| TPSA: | 200.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD18162
Formula: C17H23O3N3
Smiles:
CNC(=O)CCCCCCC(=O)Nc1cccc2c1CNC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 317.39 | Num_heavy_atoms: | 23 |
| TPSA: | 87.3 | NumAromaticRings: | 1 |
