Glycoside
GD142378
Name:
[3,4,6-tris(acetyloxy)-5-[7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptanamido]oxan-2-yl]methyl acetateFormula:
C29H36O12N2Smiles:
CC(=O)OCC1OC(OC(C)=O)C(N=C(O)CCCCCCN2C(=O)c3ccccc3C2=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C(O)CCCCCCN1C(=O)c2ccccc2C1=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 604.61 | Num_heavy_atoms: | 43 |
| TPSA: | 184.4 | 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 |
AD52391
Formula: C15H18O3N2
Smiles:
N=C(O)CCCCCCN1C(=O)c2ccccc2C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 81.46 | NumAromaticRings: | 1 |
