Glycoside
GD068500
Name:
NoneFormula:
C15H19O5N3SSmiles:
OC[C@H]1O[C@@H](O)[C@H](n2cc(CSc3ccccc3)nn2)[C@@H](O)[C@@H]1OAglycone:
C1=C(CSc2ccccc2)N=N[N]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD32454
Formula: C9H8N3S
Smiles:
C1=C(CSc2ccccc2)N=N[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.25 | Num_heavy_atoms: | 13 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
