Glycoside
GD155434
Name:
2,5-bis(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:
C22H30O6N2Smiles:
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)COC1(CO)OC(CO)C(O)C1OAglycone:
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)COSugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 127.2 | 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 |
