Glycoside
GD134371
Name:
6-{[5-carboxy-2-cyclohexyl-6-(methoxymethyl)-1,8,21,21,26-pentamethylheptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C47H70O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC(C)(C4C56C)C2(C2CCCCC2)CCC13C(=O)OAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C2(C2CCCCC2)CCC13C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 7.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 795.07 | Num_heavy_atoms: | 57 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD54364
Formula: C41H62O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CC4CCC5CC(O)C(C)(C)C6CCC(C)(C4C56C)C2(C2CCCCC2)CCC13C(=O)O| HBA: | 4 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 9.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 618.94 | Num_heavy_atoms: | 45 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
