Glycoside
GD126453
Name:
4,11,15-trimethoxy-2,6,14,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-4,14-dien-3-oneFormula:
C29H44O11Smiles:
COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C2(C)C1=O)C34CAglycone:
COC1=CC(C)C2CC3OC(OC)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: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51170
Formula: C23H34O6
Smiles:
COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(O)C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
