Glycoside
GD024110
Name:
7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C25H32O13Smiles:
COc1ccc(C=CC(=O)O[C@@H]2C[C@](O)(CO)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)cc1OAglycone:
COc1ccc(C=CC(=O)OC2CC(O)(CO)C3C(O)OC=CC23)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD16134
Formula: C19H22O8
Smiles:
COc1ccc(C=CC(=O)OC2CC(O)(CO)C3C(O)OC=CC23)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
