Glycoside
GD078032
Name:
NoneFormula:
C17H21O6N3SSmiles:
COc1ncc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cn1Aglycone:
COc1ncc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.44 | Num_heavy_atoms: | 27 |
| TPSA: | 137.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD35763
Formula: C11H11ON3S
Smiles:
COc1ncc(Nc2ccc(S)cc2)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.3 | Num_heavy_atoms: | 16 |
| TPSA: | 47.04 | NumAromaticRings: | 2 |
