Glycoside
GD115699
Name:
4-[1-(5-hydroxy-3-methylpent-3-en-1-yl)-5-(hydroxymethyl)-5,8a-dimethyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]but-3-en-2-oneFormula:
C28H44O8Smiles:
CC(=O)C=CC1=C(CCC(C)=CCO)C2(C)CCCC(C)(CO)C2C(OC2OCC(O)C(O)C2O)C1Aglycone:
CC(=O)C=CC1=C(CCC(C)=CCO)C2(C)CCCC(C)(CO)C2C(O)C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45818
Formula: C23H36O4
Smiles:
CC(=O)C=CC1=C(CCC(C)=CCO)C2(C)CCCC(C)(CO)C2C(O)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
