Glycoside
GD115626
Name:
(6-{[7-(acetyloxy)-4a,5-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C26H32O13Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C12Aglycone:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD11842
Formula: C11H16O6
Smiles:
CC(=O)OC1(C)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
