Glycoside
GD020113
Name:
NoneFormula:
C19H27O6N5SSmiles:
CCOC(=O)C(CCSC[C@@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O)NC(C)=OAglycone:
CCOC(=O)C(CCSC)NC(C)=O.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 453.52 | Num_heavy_atoms: | 31 |
| TPSA: | 161.82 | 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 |
AD13939
Formula: C9H17O3NS
Smiles:
CCOC(=O)C(CCSC)NC(C)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 219.31 | Num_heavy_atoms: | 14 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
