Glycoside
GD019576
Name:
AURANTOSIDE HFormula:
C29H35O12N2ClSmiles:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)[C@H](CC(N)=O)N([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C1=OAglycone:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=OSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 627.04 | Num_heavy_atoms: | 43 |
| TPSA: | 229.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD13187
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: | 2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.81 | Num_heavy_atoms: | 25 |
| TPSA: | 109.49 | NumAromaticRings: | 0 |
