Glycoside
GD140403
Name:
1'-(Beta-D-Glucopyranosyloxy)-1',2'-Dihydro-Beta,Psi-Caroten-4-OneFormula:
C46H66O7Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 8.97 | Num_rotatable_bonds: | 17 |
| MolWt: | 731.03 | Num_heavy_atoms: | 53 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48371
Formula: C40H56O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 11.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 568.89 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
