Glycoside
GD027898
Name:
NoneFormula:
C22H24O5N2SSmiles:
CO[C@@H]1O[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.51 | Num_heavy_atoms: | 30 |
| TPSA: | 107.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD18289
Formula: C16H14N2S
Smiles:
CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.37 | Num_heavy_atoms: | 19 |
| TPSA: | 28.68 | NumAromaticRings: | 3 |
