Glycoside
GD133449
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C26H42O9Smiles:
CC1CCC2(C)C(C(=O)OC3OC(CO)C(O)C(O)C3O)=CCCC2C1(C)CCC(=CCO)COAglycone:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC(=CCO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54012
Formula: C20H32O4
Smiles:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC(=CCO)CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
