Glycoside
GD135194
Name:
10-ethenyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6λâ´-thia-3-azatricyclo[7.4.0.0³,â·]tridec-1(13)-ene-2,6-dioneFormula:
C18H25O9NSSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCS(=O)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCS(=O)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.46 | Num_heavy_atoms: | 29 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD54671
Formula: C12H15O4NS
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCS(=O)C3CC21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 269.32 | Num_heavy_atoms: | 18 |
| TPSA: | 66.84 | NumAromaticRings: | 0 |
