Glycoside
GD139158
Name:
Phomaether BFormula:
C20H24O8Smiles:
COc1cc(C)c(Oc2cc(C)cc(OC3OC(CO)C(O)C3O)c2)c(O)c1Aglycone:
COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD54688
Formula: C15H16O4
Smiles:
COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
