Glycoside
GD084299
Name:
NoneFormula:
C16H22O7NBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2cc(Br)ccc2O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cc1cc(Br)ccc1O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.26 | Num_heavy_atoms: | 25 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD37630
Formula: C10H12O3NBr
Smiles:
O=C(Cc1cc(Br)ccc1O)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.11 | Num_heavy_atoms: | 15 |
| TPSA: | 69.56 | NumAromaticRings: | 1 |
