Glycoside
GD147357
Name:
3,4a,8,8-tetramethyl-4-{3-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]pent-4-en-1-yl}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-oneFormula:
C25H40O6Smiles:
C=CC(C)(CCC1=C(C)C(=O)CC2C(C)(C)CCCC12C)OC1OCC(O)C(O)C1OAglycone:
C=CC(C)(O)CCC1=C(C)C(=O)CC2C(C)(C)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.59 | Num_heavy_atoms: | 31 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD59018
Formula: C20H32O2
Smiles:
C=CC(C)(O)CCC1=C(C)C(=O)CC2C(C)(C)CCCC12C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
