Glycoside
GD121763
Name:
3-{2-[4a-(hydroxymethyl)-1,2-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-oneFormula:
C26H40O9Smiles:
CC1CCC2(CO)C(COC3OC(CO)C(O)C(O)C3O)=CCCC2C1(C)CCC1=CCOC1=OAglycone:
CC1CCC2(CO)C(CO)=CCCC2C1(C)CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49028
Formula: C20H30O4
Smiles:
CC1CCC2(CO)C(CO)=CCCC2C1(C)CCC1=CCOC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
