Glycoside
GD128073
Name:
Aurantoside IFormula:
C35H45O15N2ClSmiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(C)Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1OAglycone:
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: | 0.56 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 757.19 | Num_heavy_atoms: | 52 |
| TPSA: | 258.22 | 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 |
