Glycoside
GD036589
Name:
NoneFormula:
C41H38O17Br4Smiles:
COc1cc(C(=O)OC[C@@H]2OC(OC(=O)c3cc(Br)c(OC)c(OC)c3)[C@H](OC(=O)c3cc(Br)c(OC)c(OC)c3)[C@H]2OC(=O)c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OCAglycone:
COC(=O)c1cc(Br)c(OC)c(OC)c1.COc1cc(C(=O)O)cc(Br)c1OC.COc1cc(C(=O)O)cc(Br)c1OC.COc1cc(C(=O)O)cc(Br)c1OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 8.0 | Num_rotatable_bonds: | 17 |
| MolWt: | 1122.35 | Num_heavy_atoms: | 62 |
| TPSA: | 188.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD20129
Formula: C9H9O4Br
Smiles:
COc1cc(C(=O)O)cc(Br)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.07 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD23066
Formula: C10H11O4Br
Smiles:
COC(=O)c1cc(Br)c(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.1 | Num_heavy_atoms: | 15 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
