Glycoside
GD034332
Name:
Plumbagoside BFormula:
C20H35O9N3Smiles:
CC(=CCC[C@H](C(=O)O)[C@@H]1CN(CC(O)CCO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(=N)N1)COAglycone:
CC(=CCCC(C(=O)O)C1CN(CC(O)CCO)C(=N)N1)COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 461.51 | Num_heavy_atoms: | 32 |
| TPSA: | 196.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD21833
Formula: C15H27O5N3
Smiles:
CC(=CCCC(C(=O)O)C1CN(CC(O)CCO)C(=N)N1)CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 329.4 | Num_heavy_atoms: | 23 |
| TPSA: | 137.11 | NumAromaticRings: | 0 |
