Glycoside
GD151931
Name:
4,15-dimethoxy-2,14,17-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadeca-4,14-diene-3,16-dioneFormula:
C27H38O11Smiles:
COC1=CCC2CC3OC(OC4OC(CO)C(O)C(O)C4O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34CAglycone:
COC1=CCC2CC3OC(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: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.59 | Num_heavy_atoms: | 38 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60543
Formula: C21H28O6
Smiles:
COC1=CCC2CC3OC(O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
