Glycoside
GD016607
Name:
NoneFormula:
C21H21O10Br3Smiles:
O=C(CCc1cc(Br)c(O)c(Br)c1)c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c(Br)c1OAglycone:
O=C(CCc1cc(Br)c(O)c(Br)c1)c1c(O)cc(O)c(Br)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 673.1 | Num_heavy_atoms: | 34 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD11937
Formula: C15H11O5Br3
Smiles:
O=C(CCc1cc(Br)c(O)c(Br)c1)c1c(O)cc(O)c(Br)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.96 | Num_heavy_atoms: | 23 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
