Glycoside
GD108125
Name:
NoneFormula:
C25H32O8NSSmiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H]([NH2+][C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)CC2Aglycone:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C([NH3+])CC2Sugarmoiety:
OC1COC([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.6 | Num_heavy_atoms: | 35 |
| TPSA: | 131.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD44259
Formula: C20H24O4NS
Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C([NH3+])CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.48 | Num_heavy_atoms: | 26 |
| TPSA: | 72.4 | NumAromaticRings: | 2 |
