Glycoside
GD017638
Name:
2-(5-{2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,â¶]dodeca-1(12),8,10-trien-6-yl}-2-methoxyphenoxy)-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetateFormula:
C35H40O12Smiles:
COc1cc(OC)c2c(c1)O[C@]1(c3ccc(OC)c(O[C@@H]4O[C@H](C)[C@H](O)[C@H](OC)[C@H]4OC(C)=O)c3)[C@H](c3ccccc3)C[C@H](O)[C@]21OAglycone:
COc1cc(OC)c2c(c1)OC1(c3ccc(OC)c(O)c3)C(c3ccccc3)CC(O)C21OSugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 652.69 | Num_heavy_atoms: | 47 |
| TPSA: | 151.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD12572
Formula: C26H26O7
Smiles:
COc1cc(OC)c2c(c1)OC1(c3ccc(OC)c(O)c3)C(c3ccccc3)CC(O)C21O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.49 | Num_heavy_atoms: | 33 |
| TPSA: | 97.61 | NumAromaticRings: | 3 |
