Glycoside
GD114612
Name:
Methyl BenthamateFormula:
C37H60O8Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2Aglycone:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45163
Formula: C31H50O4
Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
