Glycoside
GD120741
Name:
ethyl 3-[7-methoxy-6-({3,4,5-trihydroxy-3-[3-hydroxy-2-(hydroxymethyl)propyl]-6-(hydroxymethyl)oxan-2-yl}oxy)-1-benzofuran-5-yl]propanoateFormula:
C24H34O12Smiles:
CCOC(=O)CCc1cc2ccoc2c(OC)c1OC1OC(CO)C(O)C(O)C1(O)CC(CO)COAglycone:
CC(CO)CO.CCOC(=O)CCc1cc2ccoc2c(OC)c1OSugarmoiety:
OCC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 514.52 | Num_heavy_atoms: | 36 |
| TPSA: | 188.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD48536
Formula: C4H10O2
Smiles:
CC(CO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD48537
Formula: C14H16O5
Smiles:
CCOC(=O)CCc1cc2ccoc2c(OC)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
