Glycoside
GD136755
Name:
Aurantoside AFormula:
C38H46O15N2Cl2Smiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(Cl)C=C(C)Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1OAglycone:
CC(Cl)=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=OSugarmoiety:
COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 817.67 | Num_heavy_atoms: | 55 |
| TPSA: | 258.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD55280
Formula: C22H20O4N2Cl2
Smiles:
CC(Cl)=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.3 | Num_heavy_atoms: | 28 |
| TPSA: | 110.48 | NumAromaticRings: | 0 |
