Glycoside
GD068017
Name:
NoneFormula:
C15H20O5NBrSmiles:
OC[C@H]1O[C@@H](O)[C@H](N[C@@H]2Cc3ccc(Br)cc3C2)[C@@H](O)[C@@H]1OAglycone:
NC1Cc2ccc(Br)cc2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.23 | Num_heavy_atoms: | 22 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD32262
Formula: C9H10NBr
Smiles:
NC1Cc2ccc(Br)cc2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.09 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
