Glycoside
GD120526
Name:
F-10748 C2Formula:
C42H64O16Smiles:
CCCCC(=O)OCC1OC(OC2C(CO)OC(c3c(O)cc(O)cc3CO)C(O)C2OC(=O)C=CC=CCC(O)C(C)CCCC=CC(C)CC)C(O)C(O)C1OAglycone:
CCC(C)C=CCCCC(C)C(O)CC=CC=CC(=O)O.CCCCC(=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: | 0.67 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 22 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| 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 |
AD07225
Formula: C6H12O2
Smiles:
CCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48433
Formula: C18H30O3
Smiles:
CCC(C)C=CCCCC(C)C(O)CC=CC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 294.44 | Num_heavy_atoms: | 21 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
