Glycoside
GD028960
Name:
2-(hydroxymethyl)-6-{[5,9,17,17-tetramethyl-8-(4,5,6-trihydroxy-6-methylheptan-2-yl)-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-16-yl]oxy}oxane-3,4,5-triolFormula:
C36H60O10Smiles:
C[C@H](CC(O)C(O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@]45OC[C@@]3(CC[C@]12C)[C@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C5(C)CAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD18877
Formula: C30H50O5
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
