Glycoside
GD139377
Name:
Tiacumicin EFormula:
C53H72O18Cl2Smiles:
CCC(=O)OC1C(OC2C(C)=CC(C)=CCC(C(C)O)OC(=O)C(COC3OC(C)C(OC(=O)c4c(O)c(Cl)c(O)c(Cl)c4CC)C(O)C3OC)=CC=CCC(O)C(C)=CC2CC)OC(C)(C)C(O)C1OAglycone:
CCC(=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)OSugarmoiety:
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: | 0.63 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 13 |
| MolWt: | 1044.03 | Num_heavy_atoms: | 71 |
| TPSA: | 266.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD05273
Formula: C11H8O4Cl2
Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.06 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD06775
Formula: C25H38O6
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: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.57 | Num_heavy_atoms: | 31 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
