Glycoside
GD019183
Name:
NoneFormula:
C25H29O3N5SSmiles:
Nc1nc(CC2O[C@H](CSCc3ccccc3)[C@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1Aglycone:
CSCc1ccccc1.Cc1nc(N)nc(NC2Cc3ccccc3C2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.61 | Num_heavy_atoms: | 34 |
| TPSA: | 126.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD02537
Formula: C13H15N5
Smiles:
Cc1nc(N)nc(NC2Cc3ccccc3C2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.3 | Num_heavy_atoms: | 18 |
| TPSA: | 76.72 | NumAromaticRings: | 2 |
AD13426
Formula: C8H10S
Smiles:
CSCc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.23 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
