Glycoside
GD092052
Name:
NoneFormula:
C22H36O6N3Smiles:
Cc1ccc([C@H](C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)N2CCC([NH3+])CC2)cc1Aglycone:
Cc1ccc(C(C(=O)NCCO)N2CCC([NH3+])CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.55 | Num_heavy_atoms: | 31 |
| TPSA: | 139.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD40181
Formula: C16H26O2N3
Smiles:
Cc1ccc(C(C(=O)NCCO)N2CCC([NH3+])CC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.4 | Num_heavy_atoms: | 21 |
| TPSA: | 80.21 | NumAromaticRings: | 1 |
