Glycoside
GD034756
Name:
2-({3,4-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadec-14-en-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H40O8Smiles:
C=C1[C@H]2CC[C@@H]3C[C@]2(C=C3C)C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2(C)CAglycone:
C=C1C2CCC3CC2(C=C3C)CC(O)C2(O)C1CC(O)C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD22060
Formula: C20H30O3
Smiles:
C=C1C2CCC3CC2(C=C3C)CC(O)C2(O)C1CC(O)C2(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
