Glycoside
GD154764
Name:
[3,4,5-tris(acetyloxy)-6-(4-{[2-(diethylamino)ethyl]carbamoyl}-2-methoxyphenoxy)oxan-2-yl]methyl acetateFormula:
C28H40O12N2Smiles:
CCN(CC)CCN=C(O)c1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(OC)c1Aglycone:
CCN(CC)CCN=C(O)c1ccc(O)c(OC)c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 14 |
| MolWt: | 596.63 | Num_heavy_atoms: | 42 |
| TPSA: | 168.72 | NumAromaticRings: | 1 |
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 |
AD61441
Formula: C14H22O3N2
Smiles:
CCN(CC)CCN=C(O)c1ccc(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 65.29 | NumAromaticRings: | 1 |
