Glycoside
GD119003
Name:
3-(furan-2-yl)-3a,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-oneFormula:
C20H26O9Smiles:
CC1=C2C(=O)OC(c3ccco3)C2(C)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2C(=O)OC(c3ccco3)C2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD47630
Formula: C14H16O4
Smiles:
CC1=C2C(=O)OC(c3ccco3)C2(C)CCC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 1 |
