Glycoside
GD097390
Name:
NoneFormula:
C22H31O8N3Smiles:
CCOc1cc2c(=O)c(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cn(CC)c2nc1CAglycone:
CCOc1cc2c(=O)c(C(=O)NCCO)cn(CC)c2nc1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.5 | Num_heavy_atoms: | 33 |
| TPSA: | 152.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD41410
Formula: C16H21O4N3
Smiles:
CCOc1cc2c(=O)c(C(=O)NCCO)cn(CC)c2nc1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.36 | Num_heavy_atoms: | 23 |
| TPSA: | 93.45 | NumAromaticRings: | 2 |
