Glycoside
GD148725
Name:
5,6-Epoxy-3,4,27-Trihydroxy-1-Oxowith-24-Enolide; (3β,4β,5β,6β)-Form, 27-O-β-D-GlucopyranosideFormula:
C34H50O12Smiles:
CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(O)CC(=O)C6(C)C4CCC23C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(O)CC(=O)C6(C)C4CCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 650.76 | Num_heavy_atoms: | 46 |
| TPSA: | 195.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD59506
Formula: C28H40O7
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(O)CC(=O)C6(C)C4CCC23C)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
