Glycoside
GD118323
Name:
2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)-2-({2-methyl-3-[6-(methylamino)-2-azatricyclo[6.3.1.0â´,¹²]dodeca-1(11),3,8(12),9-tetraen-7-yl]prop-2-en-1-yl}oxy)oxolane-3,4-diolFormula:
C28H40O11N2Smiles:
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)COC1(COC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)COSugarmoiety:
OCC1OC(O)(COC2(CO)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.63 | Num_heavy_atoms: | 41 |
| TPSA: | 206.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD47298
Formula: C16H20ON2
Smiles:
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)CO| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.35 | Num_heavy_atoms: | 19 |
| TPSA: | 48.05 | NumAromaticRings: | 2 |
