Glycoside
GD089497
Name:
NoneFormula:
C22H36O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
C[NH+]1CCCN(Cc2cccc(C(=O)NCCO)c2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.55 | Num_heavy_atoms: | 31 |
| TPSA: | 115.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD39046
Formula: C16H26O2N3
Smiles:
C[NH+]1CCCN(Cc2cccc(C(=O)NCCO)c2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.4 | Num_heavy_atoms: | 21 |
| TPSA: | 57.01 | NumAromaticRings: | 1 |
