Glycoside
GD037386
Name:
NoneFormula:
C28H41O7N3Smiles:
CCC[C@@H]1[C@@H]2CCc3cc(OCc4cn([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn4)ccc3[C@H]2CC[C@@]1(C)COAglycone:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.65 | Num_heavy_atoms: | 38 |
| TPSA: | 150.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD22251
Formula: C22H30O2N3
Smiles:
CCCC1C2CCc3cc(OCC4=C[N]N=N4)ccc3C2CCC1(C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.5 | Num_heavy_atoms: | 27 |
| TPSA: | 68.28 | NumAromaticRings: | 1 |
