Glycoside
GD026923
Name:
2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1H-naphtho[2,1-c]pyran-4-oneFormula:
C24H34O12Smiles:
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H](O)[C@H](O)[C@H]12Aglycone:
CC12CC(c3ccoc3)OC(=O)C1(O)CCC1C(O)CC(O)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.52 | Num_heavy_atoms: | 36 |
| TPSA: | 199.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD17723
Formula: C18H24O7
Smiles:
CC12CC(c3ccoc3)OC(=O)C1(O)CCC1C(O)CC(O)C(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.38 | Num_heavy_atoms: | 25 |
| TPSA: | 120.36 | NumAromaticRings: | 1 |
