Glycoside
GD143832
Name:
3,4,5-trihydroxy-6-({5-hydroxy-6-[(1-hydroxycyclohexyl)oxy]-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)oxane-2-carboxylic acidFormula:
C28H30O13Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.54 | Num_heavy_atoms: | 41 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD45764
Formula: C22H22O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCCC4)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.41 | Num_heavy_atoms: | 29 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
