Glycoside
GD023710
Name:
2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C36H58O8Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C=C[C@]35OC[C@]6(CCC(C)(C)C[C@@H]36)[C@H](O)C[C@]54C)[C@@]2(C)CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00452
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
