Glycoside
GD141236
Name:
(6-{[2-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-methylbut-2-enoateFormula:
C26H42O7Smiles:
CC=C(C)C(=O)OCC1OC(OC(C)(C)C2CCC3(C)CCC=C(C)C3C2)C(O)C(O)C1OAglycone:
CC1=CCCC2(C)CCC(C(C)(C)O)CC12.CC=C(C)C(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.62 | Num_heavy_atoms: | 33 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45418
Formula: C6H10O2
Smiles:
CC=C(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD50693
Formula: C15H26O
Smiles:
CC1=CCCC2(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 |
