Glycoside
GD037291
Name:
NoneFormula:
C16H19O5N5Smiles:
CC(C)C(=O)OC[C@@H]1O[C@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@H]1OAglycone:
COC(=O)C(C)C.Nc1ncnn2cccc12Sugarmoiety:
N#CC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.36 | Num_heavy_atoms: | 26 |
| TPSA: | 155.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD05072
Formula: C6H6N4
Smiles:
Nc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
