Glycoside

GD108218
Name:
[3,4,5-tris(acetyloxy)-6-{3-hydroxy-4-[2-(1,3-thiazol-4-yl)acetyl]phenoxy}oxan-2-yl]methyl acetateFormula:
C25H27O12NSSmiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C(Cc1cscn1)c1ccc(O)cc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.44 |
AlogP: | 1.74 | Num_rotatable_bonds: | 10 |
MolWt: | 565.55 | Num_heavy_atoms: | 39 |
TPSA: | 173.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD35281
Formula: C11H9O3NS
Smiles:
O=C(Cc1cscn1)c1ccc(O)cc1OHBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.09 |
AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
MolWt: | 235.26 | Num_heavy_atoms: | 16 |
TPSA: | 70.42 | NumAromaticRings: | 2 |