Glycoside
GD131167
Name:
6-({6-[(3-benzyl-1-hydroxycyclohexyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C35H36O13Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c(O)cc3o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.66 | Num_heavy_atoms: | 48 |
| TPSA: | 205.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD45424
Formula: C29H28O7
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.54 | Num_heavy_atoms: | 36 |
| TPSA: | 109.36 | NumAromaticRings: | 4 |
