Glycoside
GD103246
Name:
NoneFormula:
C21H30O7NBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2(Cc3cccc(Br)c3)CCOCC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1(Cc2cccc(Br)c2)CCOCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.38 | Num_heavy_atoms: | 30 |
| TPSA: | 117.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD43685
Formula: C15H20O3NBr
Smiles:
O=C(NCCO)C1(Cc2cccc(Br)c2)CCOCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.23 | Num_heavy_atoms: | 20 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
