Glycoside
GD014515
Name:
NoneFormula:
C20H19O5N3SSmiles:
CSc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.46 | Num_heavy_atoms: | 29 |
| TPSA: | 113.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD10661
Formula: C15H10ON3S
Smiles:
CSc1ncnc2c1C(c1cc3ccccc3o1)=C[N]2| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.33 | Num_heavy_atoms: | 20 |
| TPSA: | 53.02 | NumAromaticRings: | 3 |
