Glycoside
GD115353
Name:
[3,4,5-tris(acetyloxy)-6-{[(cyclohexyloxy)carbonyl]amino}oxan-2-yl]methyl acetateFormula:
C21H31O11NSmiles:
CC(=O)OCC1OC(N=C(O)OC2CCCCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C(O)OC1CCCCC1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.48 | Num_heavy_atoms: | 33 |
| TPSA: | 156.25 | 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 |
AD45613
Formula: C7H13O2N
Smiles:
N=C(O)OC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.19 | Num_heavy_atoms: | 10 |
| TPSA: | 53.31 | NumAromaticRings: | 0 |
