Glycoside
GD142242
Name:
3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-({3,4,5-trihydroxy-6-[(8-hydroxy-2-oxoheptadeca-3,5,9,11-tetraen-1-yl)oxy]oxan-2-yl}oxy)-3H-spiro[2-benzofuran-1,2'-oxan]-4'-yl deca-2,4-dienoateFormula:
C45H62O16Smiles:
CCCCCC=CC=CC(=O)OC1C(OC2OC(OCC(=O)C=CC=CCC(O)C=CC=CCCCCC)C(O)C(O)C2O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1OAglycone:
CCCCCC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O.CCCCCC=CC=CC(O)CC=CC=CC(=O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 23 |
| MolWt: | 858.98 | Num_heavy_atoms: | 61 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD57250
Formula: C23H30O9
Smiles:
CCCCCC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.48 | Num_heavy_atoms: | 32 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
AD57251
Formula: C17H26O3
Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 278.39 | Num_heavy_atoms: | 20 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
