Glycoside
GD002024
Name:
NoneFormula:
C13H21O7N3Smiles:
CO[C@@H]1O[C@H](Cn2cc(COCC3CO3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(COCC2CO2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 331.32 | Num_heavy_atoms: | 23 |
| TPSA: | 131.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD01968
Formula: C7H11O2N3
Smiles:
Cn1cc(COCC2CO2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 52.47 | NumAromaticRings: | 1 |
