Glycoside
GD128106
Name:
[3,4-bis(acetyloxy)-6-{2-[2,2-dimethyl-6-(pentyloxy)-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethoxy}-5-acetamidooxan-2-yl]methyl acetateFormula:
C28H45O14NSmiles:
CCCCCOC1C(C(O)COC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)OC2OC(C)(C)OC21Aglycone:
CCCCCOC1C(C(O)CO)OC2OC(C)(C)OC21.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 14 |
| MolWt: | 619.66 | Num_heavy_atoms: | 43 |
| TPSA: | 187.1 | 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 |
AD44251
Formula: C14H26O6
Smiles:
CCCCCOC1C(C(O)CO)OC2OC(C)(C)OC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 77.38 | NumAromaticRings: | 0 |
