Glycoside
GD040229
Name:
n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha- d-glucopyranosylamineFormula:
C13H22O9N2SSmiles:
OC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](S2)[C@@H](O)[C@@H](O)[C@@]3(O)CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
NC1=NC2C(S1)C(O)C(O)C2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -5.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.39 | Num_heavy_atoms: | 25 |
| TPSA: | 195.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD24701
Formula: C7H12O4N2S
Smiles:
NC1=NC2C(S1)C(O)C(O)C2(O)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.25 | Num_heavy_atoms: | 14 |
| TPSA: | 119.3 | NumAromaticRings: | 0 |
