Glycoside
GD128598
Name:
[3,4,5-tris(acetyloxy)-6-(2-methoxy-4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenoxy)oxan-2-yl]methyl acetateFormula:
C30H42O12N2Smiles:
COc1cc(C(O)=NCCCN2CCCCC2)ccc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(C(O)=NCCCN2CCCCC2)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 622.67 | Num_heavy_atoms: | 44 |
| 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 |
AD52093
Formula: C16H24O3N2
Smiles:
COc1cc(C(O)=NCCCN2CCCCC2)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 292.38 | Num_heavy_atoms: | 21 |
| TPSA: | 65.29 | NumAromaticRings: | 1 |
