Glycoside
GD107084
Name:
NoneFormula:
C27H31O11NSSmiles:
COc1c(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2Aglycone:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 577.61 | Num_heavy_atoms: | 40 |
| TPSA: | 181.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD02881
Formula: C21H23O5NS
Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.48 | Num_heavy_atoms: | 28 |
| TPSA: | 84.86 | NumAromaticRings: | 2 |
