Glycoside
GD143939
Name:
3-(furan-3-yl)-3a,5,7-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-oneFormula:
C21H28O9Smiles:
CC1=C2C(=O)OC(c3ccoc3)C2(C)CC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2C(=O)OC(c3ccoc3)C2(C)CC(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD57873
Formula: C15H18O4
Smiles:
CC1=C2C(=O)OC(c3ccoc3)C2(C)CC(C)C1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 1 |
