Glycoside
GD128589
Name:
[6-({4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-3,4,8a-trimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C28H42O9Smiles:
CC(=O)OCC1OC(OC2CC(C)C(C)(CCc3ccoc3)C3CCC=C(CO)C23C)C(O)C(O)C1OAglycone:
CC1CC(O)C2(C)C(CO)=CCCC2C1(C)CCc1ccoc1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD52087
Formula: C20H30O3
Smiles:
CC1CC(O)C2(C)C(CO)=CCCC2C1(C)CCc1ccoc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 53.6 | NumAromaticRings: | 1 |
