Glycoside
GD024100
Name:
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,â·.0â´,¹â¹.0¹³,¹â¸]nonadec-14-en-9-oneFormula:
C26H36O12Smiles:
C=C1[C@@H]2CC(=O)O[C@@H]3C[C@@H]4C(C)=C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@]4(C)[C@@H]4[C@]23CO[C@@]4(O)[C@H]1OAglycone:
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(O)C(O)C5(C)C23)OC(=O)CC14Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD16128
Formula: C20H26O7
Smiles:
C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(O)C(O)C5(C)C23)OC(=O)CC14| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 378.42 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
