Glycoside
GD037103
Name:
NoneFormula:
C37H30O17Br4Smiles:
COc1cc(C(=O)OC[C@@H]2OC(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:
COC(=O)c1cc(Br)c(O)c(OC)c1.COc1cc(C(=O)O)cc(Br)c1O.COc1cc(C(=O)O)cc(Br)c1O.COc1cc(C(=O)O)cc(Br)c1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 6.78 | Num_rotatable_bonds: | 13 |
| MolWt: | 1066.25 | Num_heavy_atoms: | 58 |
| TPSA: | 232.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD23397
Formula: C9H9O4Br
Smiles:
COC(=O)c1cc(Br)c(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.07 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
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 |
