Glycoside
GD140277
Name:
CorynecandinFormula:
C41H60O16Smiles:
CCCCCC=CC=CC(=O)OCC1OC(OC2C(CO)OC(c3c(O)cc(O)cc3CO)C(O)C2OC(=O)C(C)=CC=CCC(O)C(C)CC)C(O)C(O)C1OAglycone:
CCC(C)C(O)CC=CC=C(C)C(=O)O.CCCCCC=CC=CC(=O)OC.OCc1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 20 |
| MolWt: | 808.92 | Num_heavy_atoms: | 57 |
| TPSA: | 262.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00090
Formula: C7H8O3
Smiles:
OCc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD10019
Formula: C11H18O2
Smiles:
CCCCCC=CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56566
Formula: C12H20O3
Smiles:
CCC(C)C(O)CC=CC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 212.29 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
