Glycoside
GD148462
Name:
7-(1,2-dihydroxyethyl)-9-hydroxy-18-(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:
C39H62O11Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(OC5OCC(O)C(O)C5O)C(C)(C(O)CO)C4CCC2(C)C13CAglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC2(C)C13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 706.91 | Num_heavy_atoms: | 50 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59405
Formula: C34H54O7
Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC2(C)C13C| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 574.8 | Num_heavy_atoms: | 41 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
