Glycoside
GD141670
Name:
3,4,5-trihydroxy-6-[(5-hydroxy-6-{[1-hydroxy-3-(2-hydroxyethyl)cyclohexyl]oxy}-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acidFormula:
C30H34O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(CCO)C4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(CCO)C4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 618.59 | Num_heavy_atoms: | 44 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD57058
Formula: C24H26O8
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(CCO)C4)c(O)cc3o2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.46 | Num_heavy_atoms: | 32 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
