Glycoside
GD121877
Name:
[4-(acetyloxy)-3-{[3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-5-acetamido-6-ethoxyoxan-2-yl]methyl acetateFormula:
C40H57O25NSmiles:
CCOC1OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1N=C(C)OAglycone:
COC(C)=O.COC(C)=O.COC(C)=OSugarmoiety:
CCOC1OC(O)C(OC2OC(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 19 |
| MolWt: | 951.88 | Num_heavy_atoms: | 66 |
| TPSA: | 324.67 | 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
SD05886
CCOC1OC(O)C(OC2OC(O)C(OC3OC(O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1N=C(C)O