Glycoside
GD027781
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadec-14-ene-5-carboxylateFormula:
C26H40O9Smiles:
C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1C[C@H](O)[C@]13C=C(CO)[C@H](CC[C@H]21)C3Aglycone:
CC1(C(=O)O)CCCC2(C)C1CC(O)C13C=C(CO)C(CCC21)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD18223
Formula: C20H30O4
Smiles:
CC1(C(=O)O)CCCC2(C)C1CC(O)C13C=C(CO)C(CCC21)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
