Glycoside
GD145216
Name:
6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-2-methyl-4-{[3,4,5-trihydroxy-6-(2-oxopropyl)oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C37H44O16Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(CC(C)=O)C(O)C(O)C3O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC(=O)CC1OC(OC2C(O)C(O)OC(C)C2OC(C)=O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.49 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 744.74 | Num_heavy_atoms: | 53 |
| TPSA: | 241.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
