Glycoside
GD022835
Name:
NoneFormula:
C26H31O3N5SSmiles:
Nc1nc(CC2O[C@H](CSCCc3ccccc3)[C@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1Aglycone:
CSCCc1ccccc1.Cc1nc(N)nc(NC2Cc3ccccc3C2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.63 | Num_heavy_atoms: | 35 |
| 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 |
AD15431
Formula: C9H12S
Smiles:
CSCCc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.26 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
