Glycoside
GD110254
Name:
ethyl 4-oxo-3-(1,3-thiazol-4-yl)-7-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-4H-chromene-2-carboxylateFormula:
C29H29O14NSSmiles:
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1Aglycone:
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1cscn1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 647.61 | Num_heavy_atoms: | 45 |
| TPSA: | 193.06 | NumAromaticRings: | 3 |
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 |
AD44595
Formula: C15H11O5NS
Smiles:
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1cscn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.32 | Num_heavy_atoms: | 22 |
| TPSA: | 89.63 | NumAromaticRings: | 3 |
