Glycoside
GD033993
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O15Smiles:
COc1cc(O)cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3O2)c1Aglycone:
COc1cc(O)cc(C2CC(=O)c3c(O)cc(O)cc3O2)c1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD21660
Formula: C16H14O6
Smiles:
COc1cc(O)cc(C2CC(=O)c3c(O)cc(O)cc3O2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
