Glycoside
GD016737
Name:
NoneFormula:
C24H32O11N4SSmiles:
CSc1nc(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.CSc1nc(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: | 15 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.6 | Num_heavy_atoms: | 40 |
| TPSA: | 190.78 | 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 |
AD12012
Formula: C10H14O2N4S
Smiles:
CSc1nc(N)c(N=C(C)C(C)=O)c(=O)n1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.31 | Num_heavy_atoms: | 17 |
| TPSA: | 90.34 | NumAromaticRings: | 1 |
