Glycoside
GD034557
Name:
7-(acetyloxy)-5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C18H26O12Smiles:
CC(=O)O[C@@]1(C)C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC(=O)OC1(C)CC(O)C2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.39 | Num_heavy_atoms: | 30 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD21960
Formula: C12H16O7
Smiles:
CC(=O)OC1(C)CC(O)C2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.25 | Num_heavy_atoms: | 19 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
