Glycoside
GD153931
Name:
Antibiotic X 14868BFormula:
C48H82O17Smiles:
COC1CC(OC2CC(C3OC(C)(OC)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)OC(C)C1OCAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(OC)C(C)CC5C)CC4O)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OC.COC1CC(O)OC(C)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 931.17 | Num_heavy_atoms: | 65 |
| TPSA: | 197.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD57926
Formula: C30H52O8
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(OC)C(C)CC5C)CC4O)O3)O2)CC(O)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.74 | Num_heavy_atoms: | 38 |
| TPSA: | 95.84 | NumAromaticRings: | 0 |
