Glycoside
GD033422
Name:
DAEDALEASIDES AFormula:
C39H58O10Smiles:
C=C(CC[C@H](C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1[C@H](OC(C)=O)C[C@]2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CC[C@]12C)C(C)CAglycone:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 686.88 | Num_heavy_atoms: | 49 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD21329
Formula: C33H48O5
Smiles:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)c3ccc(C)c(CCC(=O)C(C)C)c3CCC12C)C(C)C| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 524.74 | Num_heavy_atoms: | 38 |
| TPSA: | 80.67 | NumAromaticRings: | 1 |
