Glycoside
GD082514
Name:
NoneFormula:
C20H32O6N3Smiles:
CC[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1Aglycone:
CC[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.49 | Num_heavy_atoms: | 29 |
| TPSA: | 126.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD37068
Formula: C14H22ON3
Smiles:
CC[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.35 | Num_heavy_atoms: | 18 |
| TPSA: | 50.77 | NumAromaticRings: | 1 |
