Glycoside
GD157156
Name:
2-{[4,5-dihydroxy-2-({18-hydroxy-6,10,14,15,20,20-hexamethyl-22-oxo-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosan-10-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl acetateFormula:
C43H68O14Smiles:
CC(=O)OC1C(OC2C(OCC3(C)CCCC4(C)C3CCC3(C)C4CCC4C3(C)CCC3(O)C5CCC43C(=O)OC5(C)C)OC(CO)C(O)C2O)OC(CO)C1OAglycone:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)CSugarmoiety:
CC(=O)OC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 210.9 | 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 |
