Glycoside
GD125855
Name:
2-{[4-(5-{18-[5-(4-hydroxy-3-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C56H84O7Smiles:
CC(C=CC=C(C)C=CC1C(C)=CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)CCC1C(C)=CCC(CC=C(C)COC2OC(CO)C(O)C(O)C2O)C1(C)CAglycone:
CC(C=CC=C(C)C=CC1C(C)=CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)CCC1C(C)=CCC(CC=C(C)CO)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 11.48 | Num_rotatable_bonds: | 20 |
| MolWt: | 869.28 | Num_heavy_atoms: | 63 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD50900
Formula: C50H74O2
Smiles:
CC(C=CC=C(C)C=CC1C(C)=CCC(CC=C(C)CO)C1(C)C)=CC=CC=C(C)C=CC=C(C)CCC1C(C)=CCC(CC=C(C)CO)C1(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 13.65 | Num_rotatable_bonds: | 17 |
| MolWt: | 707.14 | Num_heavy_atoms: | 52 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
