Glycoside

GD153260
Name:
5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-15',16',18',19'-tetrolFormula:
C33H54O12Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 1.0 |
AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
MolWt: | 642.78 | Num_heavy_atoms: | 45 |
TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD53945
Formula: C27H44O7
Smiles:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CHBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 1.0 |
AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
MolWt: | 480.64 | Num_heavy_atoms: | 34 |
TPSA: | 119.61 | NumAromaticRings: | 0 |