Glycoside
GD114956
Name:
MyxobactoneFormula:
C46H64O7Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 8.75 | Num_rotatable_bonds: | 16 |
| MolWt: | 729.01 | Num_heavy_atoms: | 53 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45042
Formula: C40H54O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 10.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 566.87 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
