Glycoside
GD129987
Name:
[4,6-bis(acetyloxy)-3-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}-5-acetamidooxan-2-yl]methyl acetateFormula:
C28H40O17N2Smiles:
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC(C)=O)C(N=C(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(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)C(OC(C)=O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 676.63 | Num_heavy_atoms: | 47 |
| TPSA: | 250.67 | 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 |