Glycoside
GD139094
Name:
17-hydroxy-8,19-bis(hydroxymethyl)-8,15,19,23-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[12.9.3.2²,â¶.0¹,¹¹.0¹â´,²³.0¹âµ,²â°.0¹â°,²â·]octacos-11-ene-27-carboxylic acidFormula:
C40H62O10Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC24CCCC13C2(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)CC14CAglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC24CCCC13C2(C)CCC1C(C)(CO)C(O)C(O)CC14CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 702.93 | Num_heavy_atoms: | 50 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56097
Formula: C35H54O6
Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC24CCCC13C2(C)CCC1C(C)(CO)C(O)C(O)CC14C| HBA: | 6 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.81 | Num_heavy_atoms: | 41 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
