Glycoside
GD010267
Name:
Plumbagoside CFormula:
C20H33O8N3Smiles:
CC(C)=C[C@@H]1C[C@H](C(=O)O)[C@@H]2CN(CC(O)CCO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(=N)N12Aglycone:
CC(C)=CC1CC(C(=O)O)C2CN(CC(O)CCO)C(=N)N12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.5 | Num_heavy_atoms: | 31 |
| TPSA: | 167.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD07958
Formula: C15H25O4N3
Smiles:
CC(C)=CC1CC(C(=O)O)C2CN(CC(O)CCO)C(=N)N12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.38 | Num_heavy_atoms: | 22 |
| TPSA: | 108.09 | NumAromaticRings: | 0 |
