Glycoside
GD151373
Name:
3,3',4,4'-Tetradehydro-1'-(Beta-D-Glucopyranosyloxy)-1',2'-Dihydro-Beta,Psi-Caroten-2-OneFormula:
C46H62O7Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C=CC(=O)C1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C=CC(=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 8.52 | Num_rotatable_bonds: | 16 |
| MolWt: | 727.0 | Num_heavy_atoms: | 53 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD60376
Formula: C40H52O2
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C=CC(=O)C1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 10.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 564.85 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
