Glycoside
GD022122
Name:
NoneFormula:
C23H30O11N4SSmiles:
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)[nH]1Aglycone:
COC(C)=O.CSc1nc(N)c(N=C(C)C(C)=O)c(=O)[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.58 | Num_heavy_atoms: | 39 |
| TPSA: | 201.64 | 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 |
AD04466
Formula: C9H12O2N4S
Smiles:
CSc1nc(N)c(N=C(C)C(C)=O)c(=O)[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.29 | Num_heavy_atoms: | 16 |
| TPSA: | 101.2 | NumAromaticRings: | 1 |
