Glycoside
GD022542
Name:
NoneFormula:
C18H25O5N5SSmiles:
CSCC[C@H](N)C(=O)OC[C@@H]1O[C@H](Cn2nnc(-c3ccccc3)n2)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)CCSC.Cn1nnc(-c2ccccc2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.5 | Num_heavy_atoms: | 29 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD05348
Formula: C8H8N4
Smiles:
Cn1nnc(-c2ccccc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
AD06499
Formula: C6H13O2NS
Smiles:
COC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
