Glycoside
GD035141
Name:
NoneFormula:
C22H28O12NBrSmiles:
C[C@H](O)[C@@H]1O[C@H](Oc2ccc(C=C(Br)C(=O)N[C@@H]3[C@H](O)[C@H](O)[C@@H]4OCO[C@H]4[C@H]3O)cc2O)[C@H](O)[C@H]1OAglycone:
O=C(NC1C(O)C(O)C2OCOC2C1O)C(Br)=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.37 | Num_heavy_atoms: | 36 |
| TPSA: | 207.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD22252
Formula: C16H18O8NBr
Smiles:
O=C(NC1C(O)C(O)C2OCOC2C1O)C(Br)=Cc1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.22 | Num_heavy_atoms: | 26 |
| TPSA: | 148.71 | NumAromaticRings: | 1 |
