Glycoside
GD140143
Name:
18-hydroxy-6,10,14,15,20,20-hexamethyl-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosan-22-oneFormula:
C36H58O9Smiles:
CC1(COC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)CAglycone:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD48686
Formula: C30H48O4
Smiles:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
