Glycoside
GD116889
Name:
6-{[(6-{18-[5-(4-hydroxy-3-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-5,5-dimethyl-4-(3-methylbut-2-en-1-yl)cyclohex-1-en-1-yl)methoxy]methyl}oxane-2,3,4,5-tetrolFormula:
C56H82O7Smiles:
CC(C)=CCC1CC=C(COCC2OC(O)C(O)C(O)C2O)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)=CCC(CC=C(C)CO)C2(C)C)C1(C)CAglycone:
COCC1=CCC(CC=C(C)C)C(C)(C)C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCC(CC=C(C)CO)C1(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 11.25 | Num_rotatable_bonds: | 19 |
| MolWt: | 867.26 | Num_heavy_atoms: | 63 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD46509
Formula: C51H74O2
Smiles:
COCC1=CCC(CC=C(C)C)C(C)(C)C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCC(CC=C(C)CO)C1(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.49 |
| AlogP: | 14.08 | Num_rotatable_bonds: | 17 |
| MolWt: | 719.15 | Num_heavy_atoms: | 53 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
