Glycoside
GD145599
Name:
2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O9Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD20343
Formula: C30H50O4
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
