Glycoside

GD155215
Name:
7-(benzyloxy)-20-hydroxy-9,22-bis(hydroxymethyl)-5,9,22,25-tetramethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[16.6.2.0â´,¹³.0âµ,¹â°.0¹³,²âµ.0¹â¹,²â´]hexacos-1-ene-19-carboxylic acidFormula:
C45H66O11Smiles:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(OC7OCC(O)C(O)C7O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3Aglycone:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 8 |
HBD: | 7 | FractionCSP3: | 0.8 |
AlogP: | 4.59 | Num_rotatable_bonds: | 8 |
MolWt: | 783.01 | Num_heavy_atoms: | 56 |
TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD61581
Formula: C40H58O7
Smiles:
CC1(CO)CC(O)C2(C(=O)O)C3CCCCC45CCC6C(C)(CO)C(O)C(OCc7ccccc7)CC6(C)C4CC=C(C2C1)C5(C)C3HBA: | 7 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.78 |
AlogP: | 6.12 | Num_rotatable_bonds: | 6 |
MolWt: | 650.9 | Num_heavy_atoms: | 47 |
TPSA: | 127.45 | NumAromaticRings: | 1 |