Glycoside
GD009827
Name:
Plumbagoside AFormula:
C20H35O8N3Smiles:
CC(C)=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)N1Aglycone:
CC(C)=CCCC(C(=O)O)C1CN(CC(O)CCO)C(=N)N1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 445.51 | Num_heavy_atoms: | 31 |
| TPSA: | 175.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD07677
Formula: C15H27O4N3
Smiles:
CC(C)=CCCC(C(=O)O)C1CN(CC(O)CCO)C(=N)N1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 313.4 | Num_heavy_atoms: | 22 |
| TPSA: | 116.88 | NumAromaticRings: | 0 |
