Glycoside
GD142447
Name:
9-hydroxy-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:
C38H60O10Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC2(C)C13CAglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(O)C(C)(CO)C4CCC2(C)C13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 676.89 | Num_heavy_atoms: | 48 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57321
Formula: C33H52O6
Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(O)C(C)(CO)C4CCC2(C)C13C| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
