Glycoside
GD028132
Name:
16-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadec-4-en-3-oneFormula:
C28H44O11Smiles:
COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@@H]4[C@H](C)[C@H](OC)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34CAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.65 | Num_heavy_atoms: | 39 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD18419
Formula: C22H34O6
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)C(OC)C(O)C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 394.51 | Num_heavy_atoms: | 28 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
