Glycoside
GD000485
Name:
NoneFormula:
C18H27O5N5SSmiles:
CCCOC(=O)C(N)CCSC[C@@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCOC(=O)C(N)CCSC.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.51 | Num_heavy_atoms: | 29 |
| TPSA: | 158.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD00541
Formula: C8H17O2NS
Smiles:
CCCOC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 191.3 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
