Glycoside
GD001852
Name:
SPICIGEROIDEFormula:
C20H26O10Smiles:
CC(=O)O[C@@H](C=C[C@@H]1CC=CC(=O)O1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)OC(C)=OAglycone:
C=CC1CC=CC(=O)O1Sugarmoiety:
CC(=O)OC(C)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 131.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD01812
Formula: C7H8O2
Smiles:
C=CC1CC=CC(=O)O1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
