Glycoside
GD015456
Name:
NoneFormula:
C12H14O4N3SISmiles:
CSc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.23 | Num_heavy_atoms: | 21 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD07430
Formula: C7H5N3SI
Smiles:
CSc1ncnc2c1C(I)=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.11 | Num_heavy_atoms: | 12 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
