Glycoside
GD127855
Name:
8-ethyl-7,9-dihydroxy-17-{3-hydroxy-4-[2-hydroxy-5-methyl-6-(prop-1-en-1-yl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]pentan-2-yl}-2,16-dimethoxy-4,6,10,12-tetramethylcyclooctadeca-2,4,12,14-tetraen-1-oneFormula:
C46H76O13Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2CC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(OC2OC(C)C(O)C(O)C2O)C1CAglycone:
CC=CC1OC(O)(C(C)C(O)C(C)C2CC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 837.1 | Num_heavy_atoms: | 59 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD51785
Formula: C40H66O9
Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2CC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 690.96 | Num_heavy_atoms: | 49 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
