Glycoside
GD016014
Name:
2-{[10,14-dihydroxy-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C36H60O7Smiles:
C=C(CC[C@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3[C@H](O)C[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]12C)C(C)CAglycone:
C=C(CCC(C)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 604.87 | Num_heavy_atoms: | 43 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD11576
Formula: C31H52O3
Smiles:
C=C(CCC(C)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
