Glycoside
GD155748
Name:
NoneFormula:
C36H55O14BrSmiles:
COC1C(OC2C(OC)C(C)OC(OC3CC4OC(O)(C3)C(C)C(=O)OC(C=CC=CBr)CC(C)=CC(=O)C4(C)C)C2OC)OC(C)C(O)C1OAglycone:
CC1=CC(=O)C(C)(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1Sugarmoiety:
COC1C(OC2C(OC)C(C)OC(O)C2OC)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 791.73 | Num_heavy_atoms: | 51 |
| TPSA: | 177.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46220
Formula: C21H29O6Br
Smiles:
CC1=CC(=O)C(C)(C)C2CC(O)CC(O)(O2)C(C)C(=O)OC(C=CC=CBr)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 457.36 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
