Glycoside
GD080635
Name:
NoneFormula:
C13H23O10N3SSmiles:
CCOc1c(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cnn1CAglycone:
CCOc1c(C(N)=O)cnn1C.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.41 | Num_heavy_atoms: | 27 |
| TPSA: | 195.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD28932
Formula: C7H11O2N3
Smiles:
CCOc1c(C(N)=O)cnn1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
