Glycoside
GD118782
Name:
6-[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,7-dimethylocta-2,6-dien-1-yl]-6-hydroxy-5-(3-hydroxy-2,6-dimethylhepta-1,5-dien-1-yl)-7-methyl-octahydro-1H-inden-4-oneFormula:
C41H66O12Smiles:
CC(C)=CCC(O)C(C)=CC1C(=O)C2CCCC2C(C)C1(O)CC=C(C)C(CC=C(C)C)OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2CCCC2C1CSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47525
Formula: C29H46O4
Smiles:
CC(C)=CCC(O)C(C)=CCC1(O)C(C=C(C)C(O)CC=C(C)C)C(=O)C2CCCC2C1C| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
