Glycoside
GD085221
Name:
NoneFormula:
C17H20O6NBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C#CBr)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(C#CBr)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.25 | Num_heavy_atoms: | 25 |
| TPSA: | 108.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD38124
Formula: C11H10O2NBr
Smiles:
O=C(NCCO)c1ccc(C#CBr)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.11 | Num_heavy_atoms: | 15 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
