Glycoside
GD140602
Name:
4,12-dimethyl-8-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,14-dioxatricyclo[9.3.0.0²,â´]tetradec-7-en-13-oneFormula:
C21H32O9Smiles:
CC1C(=O)OC2C1CCC(COC1OC(CO)C(O)C(O)C1O)=CCCC1(C)OC21Aglycone:
CC1C(=O)OC2C1CCC(CO)=CCCC1(C)OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 138.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56689
Formula: C15H22O4
Smiles:
CC1C(=O)OC2C1CCC(CO)=CCCC1(C)OC21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
