Glycoside
GD020747
Name:
NoneFormula:
C12H17O8N3Smiles:
O=[N+]([O-])c1nccn1C=CCOC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCC=Cn1ccnc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 331.28 | Num_heavy_atoms: | 23 |
| TPSA: | 160.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD14272
Formula: C7H9O3N3
Smiles:
COCC=Cn1ccnc1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.17 | Num_heavy_atoms: | 13 |
| TPSA: | 70.19 | NumAromaticRings: | 1 |
