Glycoside
GD084947
Name:
NoneFormula:
C22H33O6N2Smiles:
O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC[C@H]2C1Aglycone:
[NH3+]C1CCC2CN(C(=O)c3ccccc3)CCC2C1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 421.51 | Num_heavy_atoms: | 30 |
| TPSA: | 127.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD38014
Formula: C16H23ON2
Smiles:
[NH3+]C1CCC2CN(C(=O)c3ccccc3)CCC2C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 259.37 | Num_heavy_atoms: | 19 |
| TPSA: | 47.95 | NumAromaticRings: | 1 |
