Glycoside
GD084918
Name:
NoneFormula:
C22H33O6N2Smiles:
O=C(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1ccc(C[NH+]2CCC3(CCCNC3)CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.51 | Num_heavy_atoms: | 30 |
| TPSA: | 122.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD38003
Formula: C16H25N2
Smiles:
c1ccc(C[NH+]2CCC3(CCCNC3)CC2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.39 | Num_heavy_atoms: | 18 |
| TPSA: | 16.47 | NumAromaticRings: | 1 |
