Glycoside
GD157115
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,â¶]dodecan-8-yl}methoxy)oxan-2-yl]methyl acetateFormula:
C26H39O14NSmiles:
CC(=O)OCC1OC(OCC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 589.59 | Num_heavy_atoms: | 41 |
| TPSA: | 176.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
