Glycoside
GD016991
Name:
NoneFormula:
C25H36O8N4Smiles:
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NCC(N)=O)cc1Aglycone:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NCC(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 200.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD12174
Formula: C19H26O3N4
Smiles:
CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NCC(N)=O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 358.44 | Num_heavy_atoms: | 26 |
| TPSA: | 121.1 | NumAromaticRings: | 2 |
