Glycoside
GD000956
Name:
1-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-yl 2-methylbut-2-enoateFormula:
C26H34O12Smiles:
CC=C(C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC=C(C)C(=O)OC(C(O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00998
Formula: C20H24O7
Smiles:
CC=C(C)C(=O)OC(C(O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 2 |
