Glycoside
GD013786
Name:
NoneFormula:
C33H22O17Br4Smiles:
O=C(OC[C@@H]1OC(OC(=O)c2cc(O)c(O)c(Br)c2)[C@H](OC(=O)c2cc(O)c(O)c(Br)c2)[C@H]1OC(=O)c1cc(O)c(O)c(Br)c1)c1cc(O)c(O)c(Br)c1Aglycone:
COC(=O)c1cc(O)c(O)c(Br)c1.O=C(O)c1cc(O)c(O)c(Br)c1.O=C(O)c1cc(O)c(O)c(Br)c1.O=C(O)c1cc(O)c(O)c(Br)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.15 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 1010.14 | Num_heavy_atoms: | 54 |
| TPSA: | 276.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD10232
Formula: C8H7O4Br
Smiles:
COC(=O)c1cc(O)c(O)c(Br)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 247.04 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD10233
Formula: C7H5O4Br
Smiles:
O=C(O)c1cc(O)c(O)c(Br)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.02 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
