Glycoside
GD023659
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]decan-5-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C25H32O13Smiles:
COc1cc(C=CC(=O)O[C@H]2[C@H]3CCO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@]3(CO)O[C@@H]23)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C3CCOC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 197.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD15893
Formula: C19H22O8
Smiles:
COc1cc(C=CC(=O)OC2C3CCOC(O)C3C3(CO)OC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
