Glycoside
GD136065
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-{[2,4,5-tris(acetyloxy)-6-({[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}methyl)oxan-3-yl]oxy}oxan-2-yl]methyl acetateFormula:
C40H56O25N2Smiles:
CC(=O)OCC1OC(OCC2OC(OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3N=C(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)OCC1OC(OC2OOC(COC3OC(O)C(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OC(C)=O)C2OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 964.88 | Num_heavy_atoms: | 67 |
| TPSA: | 348.03 | 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
SD08006
CC(=O)OCC1OC(OC2OOC(COC3OC(O)C(OC(C)=O)C(OC(C)=O)C3N=C(C)O)C(OC(C)=O)C2OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O