Glycoside
GD012059
Name:
Ikarisoside DFormula:
C28H30O11Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)[C@H](O)[C@H]1OAglycone:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD09118
Formula: C20H18O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 26 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
