Glycoside
GD157576
Name:
6'-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2'-(2-hydroxypropan-2-yl)-4'a,6'-dimethyl-4',6-dioxo-octahydrodispiro[oxane-3,1'-naphthalene-5',2''-oxirane]-3''-carboxylic acidFormula:
C32H44O15Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)c3ccoc3)C23OC3C(=O)O)C12COC(=O)CC2OAglycone:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C12COC(=O)CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 668.69 | Num_heavy_atoms: | 47 |
| TPSA: | 246.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD62287
Formula: C26H34O10
Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C12COC(=O)CC2O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.55 | Num_heavy_atoms: | 36 |
| TPSA: | 167.03 | NumAromaticRings: | 1 |
