Glycoside
GD047850
Name:
NoneFormula:
C12H17O7N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc3c(nn2)OCCO3)[C@@H](O)[C@@H]1OAglycone:
Nc1cc2c(nn1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 146.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD25698
Formula: C6H7O2N3
Smiles:
Nc1cc2c(nn1)OCCO2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 70.26 | NumAromaticRings: | 1 |
