Glycoside
GD151605
Name:
[3,4,6-tris(acetyloxy)-5-{[(benzyloxy)carbonyl]amino}oxan-2-yl]methyl acetateFormula:
C22H27O11NSmiles:
CC(=O)OCC1OC(OC(C)=O)C(N=C(O)OCc2ccccc2)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C(O)OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.45 | Num_heavy_atoms: | 34 |
| TPSA: | 156.25 | 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 |
AD45578
Formula: C8H9O2N
Smiles:
N=C(O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 53.31 | NumAromaticRings: | 1 |
