Glycoside
GD022161
Name:
NoneFormula:
C23H26O11NBrSmiles:
O=C(CBr)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
O=C(CBr)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.36 | Num_heavy_atoms: | 36 |
| TPSA: | 206.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD15060
Formula: C17H16O6NBr
Smiles:
O=C(CBr)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.22 | Num_heavy_atoms: | 25 |
| TPSA: | 127.09 | NumAromaticRings: | 2 |
