Glycoside
GD123156
Name:
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,â¶]dodecan-8-yl}methoxy)oxan-3-yl]acetamideFormula:
C20H33O11NSmiles:
CC(O)=NC1C(OCC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)OC(CO)C(O)C1OAglycone:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.48 | Num_heavy_atoms: | 32 |
| TPSA: | 157.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD40416
Formula: C12H20O6
Smiles:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 66.38 | NumAromaticRings: | 0 |
