Glycoside
GD126906
Name:
6,7-Epoxy-1,3,5-Trihydroxywith-24-Enolide; (1α,3β,5α,6α,7α,20S,22R)-Form, 3-O-β-D-GlucopyranosideFormula:
C34H52O11Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.78 | Num_heavy_atoms: | 45 |
| TPSA: | 178.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD46898
Formula: C28H42O6
Smiles:
CC1=C(C)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC23C)C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
