Glycoside
GD139589
Name:
Clostomicin DFormula:
C55H74O18Cl2Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)C(O)C1C(C)OC(OCC2=CC=CCC(O)C(C)=CC(CC)C(OC3OC(C)(C)C(OC(=O)C(C)C)C(O)C3O)C(C)=CC(C)=CCC(C(C)=O)OC2=O)C(OC)C1OAglycone:
CC(C)C(=O)O.CCC1C=C(C)C(O)CC=CC=C(CO)C(=O)OC(C(C)=O)CC=C(C)C=C(C)C1O.CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)COSugarmoiety:
CC1(C)OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 1070.06 | Num_heavy_atoms: | 73 |
| TPSA: | 274.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02964
Formula: C25H36O6
Smiles:
CCC1C=C(C)C(O)CC=CC=C(CO)C(=O)OC(C(C)=O)CC=C(C)C=C(C)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD51047
Formula: C12H10O4Cl2
Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.09 | Num_heavy_atoms: | 16 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
