Glycoside
GD123803
Name:
6-({5-carboxy-1,2,8,8,19,19,24-heptamethylhexacyclo[14.6.2.0²,¹¹.0âµ,¹â°.0¹³,²³.0²â°,²â´]tetracos-11-en-18-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C38H58O9Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC4CCC5CC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C6CCC3(C)C4C56C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC4CCC5CC(O)C(C)(C)C6CCC3(C)C4C56C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 658.87 | Num_heavy_atoms: | 47 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49981
Formula: C32H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC4CCC5CC(O)C(C)(C)C6CCC3(C)C4C56C)C2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 482.75 | Num_heavy_atoms: | 35 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
