Glycoside
GD142162
Name:
2-{[2-(4a-methyl-8-methylidene-decahydronaphthalen-2-yl)propan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 2-methylbut-2-enoateFormula:
C26H42O6Smiles:
C=C1CCCC2(C)CCC(C(C)(C)OC3OC(C)C(O)C(O)C3OC(=O)C(C)=CC)CC12Aglycone:
C=C1CCCC2(C)CCC(C(C)(C)O)CC12.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.62 | Num_heavy_atoms: | 32 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD52593
Formula: C15H26O
Smiles:
C=C1CCCC2(C)CCC(C(C)(C)O)CC12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
