Glycoside
GD141116
Name:
[3,4,5-tris(acetyloxy)-6-{[4-oxo-3-(2-phenyl-1,3-thiazol-4-yl)-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetateFormula:
C32H29O12NSSmiles:
CC(=O)OCC1OC(Oc2ccc3c(=O)c(-c4csc(-c5ccccc5)n4)coc3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1c(-c2csc(-c3ccccc3)n2)coc2cc(O)ccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 651.65 | Num_heavy_atoms: | 46 |
| TPSA: | 166.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56872
Formula: C18H11O3NS
Smiles:
O=c1c(-c2csc(-c3ccccc3)n2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 321.36 | Num_heavy_atoms: | 23 |
| TPSA: | 63.33 | NumAromaticRings: | 4 |
