Glycoside
GD118454
Name:
5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C34H42O14Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.7 | Num_heavy_atoms: | 48 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD47366
Formula: C28H32O10
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2O)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.55 | Num_heavy_atoms: | 38 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
