Glycoside
GD157109
Name:
5-(furan-3-yl)-3,11-dimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,â¸]hexadec-15-ene-7,13-dioneFormula:
C26H32O11Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2C=CC1(OC1OC(CO)C(O)C(O)C1O)C(=O)O2Aglycone:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD58142
Formula: C20H22O6
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
