Glycoside
GD001546
Name:
NoneFormula:
C16H22O8N4SSmiles:
CC(=O)OCCSC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CSCCOC(C)=O.NC(=O)C1=N[N]C=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.44 | Num_heavy_atoms: | 29 |
| TPSA: | 161.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD01540
Formula: C5H10O2S
Smiles:
CSCCOC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.2 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
