Glycoside

GD142698
Name:
N-[2-({dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0²,â¶]dodecane-11',1''-cyclohexan]-8'-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideFormula:
C26H41O11NSmiles:
CC(O)=NC1C(OCC2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)OC(CO)C(O)C1OAglycone:
OCC1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.96 |
AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
MolWt: | 543.61 | Num_heavy_atoms: | 38 |
TPSA: | 157.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD44247
Formula: C18H28O6
Smiles:
OCC1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12HBA: | 6 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
MolWt: | 340.42 | Num_heavy_atoms: | 24 |
TPSA: | 66.38 | NumAromaticRings: | 0 |