Glycoside
GD056088
Name:
NoneFormula:
C14H22O8N2Smiles:
CN1C[C@@]2(CCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)OCC1=OAglycone:
CN1CC2(CCN(C=O)C2)OCC1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.34 | Num_heavy_atoms: | 24 |
| TPSA: | 140.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD28215
Formula: C9H14O3N2
Smiles:
CN1CC2(CCN(C=O)C2)OCC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 49.85 | NumAromaticRings: | 0 |
