Glycoside
GD143892
Name:
6-{[5,7-dimethyl-2-(methylamino)-4-[(pyridin-3-yl)methyl]-1,3-benzothiazol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H25O7N3SSmiles:
CN=c1[nH]c2c(Cc3cccnc3)c(C)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(C)c2s1Aglycone:
CN=c1[nH]c2c(Cc3cccnc3)c(C)c(O)c(C)c2s1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.52 | Num_heavy_atoms: | 33 |
| TPSA: | 157.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD57850
Formula: C16H17ON3S
Smiles:
CN=c1[nH]c2c(Cc3cccnc3)c(C)c(O)c(C)c2s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.4 | Num_heavy_atoms: | 21 |
| TPSA: | 61.27 | NumAromaticRings: | 3 |
