Glycoside
GD108859
Name:
NoneFormula:
C24H30O12Smiles:
C=C[C@@H]1C2=CCOCC2=CO[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C=CC1C2=CCOCC2=COC1O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 142.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44474
Formula: C10H12O3
Smiles:
C=CC1C2=CCOCC2=COC1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
