Glycoside
GD121284
Name:
methyl 2-[1,5,8-trihydroxy-4a-methyl-8-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-2-yl]prop-2-enoateFormula:
C22H36O11Smiles:
C=C(C(=O)OC)C1CCC2(C)C(O)CCC(O)(COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(O)CCC(O)(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48812
Formula: C16H26O6
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(O)CCC(O)(CO)C2C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.38 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
