Glycoside
GD154191
Name:
1'-Β-Xylosyl-3,2'-Dihydroxy-Β,Ψ-Caroten-4-OneFormula:
C45H62O8Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)OC1OCC(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 730.98 | Num_heavy_atoms: | 53 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50459
Formula: C40H54O4
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 8.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 598.87 | Num_heavy_atoms: | 44 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
