Glycoside
GD020029
Name:
DAEDALEASIDE BFormula:
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)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C)C(C)CAglycone:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 686.88 | Num_heavy_atoms: | 49 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD13889
Formula: C33H48O5
Smiles:
C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.74 | Num_heavy_atoms: | 38 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
