Glycoside
GD122009
Name:
14-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,11-dimethyl-6-(5-oxooxolan-3-yl)-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-15-yl acetateFormula:
C44H68O19Smiles:
COC1CC(OC2CCC3(C)C(CCC45OC46CCC(C4COC(=O)C4)C6(C)CCC35)C2OC(C)=O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)OC1C(O)CCC2(C)C1CCC13OC14CCC(C1COC(=O)C1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 901.01 | Num_heavy_atoms: | 63 |
| TPSA: | 271.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD49142
Formula: C25H36O6
Smiles:
CC(=O)OC1C(O)CCC2(C)C1CCC13OC14CCC(C1COC(=O)C1)C4(C)CCC23| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 85.36 | NumAromaticRings: | 0 |
