Glycoside
GD098921
Name:
NoneFormula:
C19H28O6N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccc(Br)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1C[NH2+]CC1c1ccc(Br)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.35 | Num_heavy_atoms: | 28 |
| TPSA: | 124.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD42088
Formula: C13H18O2N2Br
Smiles:
O=C(NCCO)C1C[NH2+]CC1c1ccc(Br)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.2 | Num_heavy_atoms: | 18 |
| TPSA: | 65.94 | NumAromaticRings: | 1 |
