Glycoside
GD151348
Name:
6-({5-carboxy-1,2,8,15,19,19-hexamethylhexacyclo[12.8.0.0²,¹¹.0â´,â¸.0âµ,¹â°.0¹âµ,²â°]docos-11-en-18-yl}oxy)-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C40H60O13Smiles:
CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C1(C)CC23Aglycone:
CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 748.91 | Num_heavy_atoms: | 53 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD46888
Formula: C29H44O3
Smiles:
CC12CCC3(C(=O)O)C(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC23| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
