Glycoside
GD016335
Name:
4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C25H32O12Smiles:
COc1ccc(C=CC(=O)O[C@@]2(C)C[C@H](O)[C@]3(O)C=CO[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]23)cc1Aglycone:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD11780
Formula: C19H22O7
Smiles:
COc1ccc(C=CC(=O)OC2(C)CC(O)C3(O)C=COC(O)C23)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
