Glycoside
GD150615
Name:
Aurantoside GFormula:
C24H27O8N2ClSmiles:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)C(CC(=N)O)N(C2OCC(O)C(O)C2O)C1=OAglycone:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.93 | Num_heavy_atoms: | 34 |
| TPSA: | 171.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD51880
Formula: C19H19O4N2Cl
Smiles:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.81 | Num_heavy_atoms: | 25 |
| TPSA: | 110.48 | NumAromaticRings: | 0 |
