Glycoside
GD067531
Name:
NoneFormula:
C16H22O7N2Smiles:
C#CCN1CC[C@]2(CCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1=OAglycone:
C#CCN1CCC2(CCN(C=O)C2)C1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD32181
Formula: C11H14O2N2
Smiles:
C#CCN1CCC2(CCN(C=O)C2)C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
