Glycoside
GD037925
Name:
(4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid)Formula:
C15H22O14Smiles:
C[C@]1(C(=O)O)OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O)O[C@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]2O1Aglycone:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.33 | Num_heavy_atoms: | 29 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD23779
Formula: C9H14O8
Smiles:
CC1(C(=O)O)OCC2OC(O)C(O)C(O)C2O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.2 | Num_heavy_atoms: | 17 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
