Glycoside
GD028515
Name:
NoneFormula:
C14H17O5N3Smiles:
OC[C@@H]1O[C@](c2ccc3c(O)ncnn23)(C2CC2)[C@H](O)[C@H]1OAglycone:
Oc1ncnn2cccc12Sugarmoiety:
OCC1OC(O)(C2CC2)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.31 | Num_heavy_atoms: | 22 |
| TPSA: | 120.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD07282
Formula: C6H5ON3
Smiles:
Oc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 50.42 | NumAromaticRings: | 2 |
