Glycoside
GD026222
Name:
NoneFormula:
C24H32O12N4Smiles:
COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1CAglycone:
COC(C)=O.COc1nc(N)c(N=C(C)C(C)=O)c(=O)n1CSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.54 | Num_heavy_atoms: | 40 |
| TPSA: | 200.01 | 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 |
AD13026
Formula: C10H14O3N4
Smiles:
COc1nc(N)c(N=C(C)C(C)=O)c(=O)n1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.25 | Num_heavy_atoms: | 17 |
| TPSA: | 99.57 | NumAromaticRings: | 1 |
