Glycoside
GD156699
Name:
Diapolycopenedioic Acid Xylosyl Ester BFormula:
C50H72O9Smiles:
CCC(C)CCCCCCCCCCC(=O)OC1C(OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)OCC(O)C1OAglycone:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O.CCC(C)CCCCCCCCCCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 11.01 | Num_rotatable_bonds: | 26 |
| MolWt: | 817.12 | Num_heavy_atoms: | 59 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD19592
Formula: C30H36O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 7.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 460.61 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD62022
Formula: C15H30O2
Smiles:
CCC(C)CCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 242.4 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
