Glycoside

GD157192
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C26H40O11Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CC(O)C12)C(O)(CO)C3=OAglycone:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C12)C(O)(CO)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.92 |
AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
MolWt: | 528.6 | Num_heavy_atoms: | 37 |
TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD62171
Formula: C20H30O6
Smiles:
CC1(C(=O)O)CCCC2(C)C1CCC13CC(CC(O)C12)C(O)(CO)C3=OHBA: | 6 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.9 |
AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
MolWt: | 366.45 | Num_heavy_atoms: | 26 |
TPSA: | 115.06 | NumAromaticRings: | 0 |