Glycoside
GD090573
Name:
NoneFormula:
C17H22O7NBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Br)cc3c2OCC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc(Br)cc2c1OCC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.27 | Num_heavy_atoms: | 26 |
| TPSA: | 117.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD39400
Formula: C11H12O3NBr
Smiles:
O=C(NCCO)c1cc(Br)cc2c1OCC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.13 | Num_heavy_atoms: | 16 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
