Glycoside
GD115205
Name:
6-({11-carboxy-1,8,8,14,15,21-hexamethylhexacyclo[15.7.1.0²,¹âµ.0âµ,¹â´.0â¶,¹¹.0²¹,²âµ]pentacos-4-en-22-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C38H58O9Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C6(C)CCCC(CC43C)C65)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C6(C)CCCC(CC43C)C65)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 658.87 | Num_heavy_atoms: | 47 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45528
Formula: C32H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C6(C)CCCC(CC43C)C65)C2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 482.75 | Num_heavy_atoms: | 35 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
