Glycoside
GD135465
Name:
9-(benzyloxy)-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹âµ.0³,¹².0â¶,¹¹.0²â°,²âµ]pentacos-14-ene-25-carboxylic acidFormula:
C45H66O10Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC2(C)C13CAglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC2(C)C13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 767.01 | Num_heavy_atoms: | 55 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD54772
Formula: C40H58O6
Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC2(C)C13C| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.9 | Num_heavy_atoms: | 46 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
