Glycoside
GD134016
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(3,4-dimethoxyphenyl)prop-2-enoateFormula:
C26H34O12Smiles:
COc1ccc(C=CC(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc1OCAglycone:
COc1ccc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD54218
Formula: C20H24O7
Smiles:
COc1ccc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 94.45 | NumAromaticRings: | 1 |
