Glycoside
GD068519
Name:
NoneFormula:
C15H19O5N3SSmiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CSc3ccccc3)nn2)[C@@H]1OAglycone:
Cn1cc(CSc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD32460
Formula: C10H11N3S
Smiles:
Cn1cc(CSc2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.29 | Num_heavy_atoms: | 14 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
