Glycoside
GD131742
Name:
4,5-dihydroxy-6-{[6-methyl-2-(7-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)hept-5-en-1-yl]oxy}oxan-3-yl acetateFormula:
C27H42O6Smiles:
C=C1CCC(C(CCC=C(C)C)COC2OCC(OC(C)=O)C(O)C2O)C2C=C(C)CCC12Aglycone:
C=C1CCC(C(CO)CCC=C(C)C)C2C=C(C)CCC12Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD53358
Formula: C20H32O
Smiles:
C=C1CCC(C(CO)CCC=C(C)C)C2C=C(C)CCC12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.48 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
