Glycoside
GD037107
Name:
NoneFormula:
C37H30O17Br4Smiles:
COc1cc(C(=O)O[C@H]2CO[C@@H](OC(=O)c3cc(Br)c(O)c(OC)c3)[C@H](OC(=O)c3cc(Br)c(O)c(OC)c3)[C@H]2OC(=O)c2cc(Br)c(O)c(OC)c2)cc(Br)c1OAglycone:
COc1cc(C(=O)O)cc(Br)c1O.COc1cc(C(=O)O)cc(Br)c1O.COc1cc(C(=O)O)cc(Br)c1O.COc1cc(C(=O)O)cc(Br)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 6.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 1066.25 | Num_heavy_atoms: | 58 |
| TPSA: | 232.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD23398
Formula: C8H7O4Br
Smiles:
COc1cc(C(=O)O)cc(Br)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.04 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
