Glycoside
GD153580
Name:
6-{[2-({4-[2-carbamoyl-2-(methylsulfanyl)ethyl]phenoxy}methyl)-1-methyl-1H-1,3-benzodiazol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H29O9N3SSmiles:
CSC(Cc1ccc(OCc2nc3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3n2C)cc1)C(=N)OAglycone:
CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(=N)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 547.59 | Num_heavy_atoms: | 38 |
| TPSA: | 187.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD61063
Formula: C19H21O3N3S
Smiles:
CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(=N)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 371.46 | Num_heavy_atoms: | 26 |
| TPSA: | 91.36 | NumAromaticRings: | 3 |
