Glycoside
GD011866
Name:
2-{[7-hydroxy-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-14-oxapentacyclo[11.7.1.0²,¹¹.0âµ,¹â°.0¹â¸,²¹]henicosan-17-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O8Smiles:
CC(C)=C[C@@H]1C[C@@](C)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2CC[C@]3(C)[C@H]2[C@H](C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1Aglycone:
CC(C)=CC1CC(C)(O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD09003
Formula: C30H50O3
Smiles:
CC(C)=CC1CC(C)(O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
