Glycoside
GD038932
Name:
(3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acidFormula:
C18H25O13NSSmiles:
O=C1N[C@H](C(=O)O)CC2=C1S[C@@H]1[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@@H](CO)O[C@@H]1O2Aglycone:
O=C1NC(C(=O)O)CC2=C1SC1C(O2)OC(CO)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -4.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.46 | Num_heavy_atoms: | 33 |
| TPSA: | 224.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD24192
Formula: C12H15O8NS
Smiles:
O=C1NC(C(=O)O)CC2=C1SC1C(O2)OC(CO)C(O)C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 333.32 | Num_heavy_atoms: | 22 |
| TPSA: | 145.55 | NumAromaticRings: | 0 |
