Glycoside
GD121136
Name:
[3,4-bis(acetyloxy)-6-{[4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-{[2,4,5-tris(acetyloxy)-6-methyloxan-3-yl]oxy}oxan-3-yl]oxy}-5-acetamidooxan-2-yl]methyl acetateFormula:
C38H53O24NSmiles:
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3C(OC(C)=O)OC(C)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 16 |
| MolWt: | 907.83 | Num_heavy_atoms: | 63 |
| TPSA: | 315.44 | 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 |
Sugarmoiety
SD05761
CC(=O)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)C(OC(C)=O)C1OC(C)=O