Glycoside
GD152815
Name:
MaduramycinFormula:
C46H78O16Smiles:
COC1CCC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC)C5OC)O4)O3)O2)OC1CAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 887.11 | Num_heavy_atoms: | 62 |
| TPSA: | 199.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02920
Formula: C36H62O10
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 114.3 | NumAromaticRings: | 0 |
