Glycoside
GD141481
Name:
(6-{5',6'-dimethoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-2,5-dien-4-oneoxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C24H28O10Smiles:
COc1cc2c(c(OC3OC(COC(C)=O)C(O)C(O)C3O)c1OC)C1(C=CC(=O)C=C1)CC2Aglycone:
COC(C)=O.COc1cc2c(c(O)c1OC)C1(C=CC(=O)C=C1)CC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.48 | Num_heavy_atoms: | 34 |
| TPSA: | 140.98 | NumAromaticRings: | 1 |
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 |
AD56992
Formula: C16H16O4
Smiles:
COc1cc2c(c(O)c1OC)C1(C=CC(=O)C=C1)CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
