Glycoside
GD126670
Name:
3,4,5-trihydroxy-6-{4-[5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-3-oxoheptyl]-2-methoxyphenoxy}oxane-2-carboxylic acidFormula:
C27H34O12Smiles:
COc1cc(CCC(O)CC(=O)CCc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(CCC(=O)CC(O)CCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD51269
Formula: C21H26O6
Smiles:
COc1cc(CCC(=O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
