Glycoside
GD010244
Name:
4,5,16,17-tetrahydroxy-6,14,18-trimethyl-8-{[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:
C26H38O13Smiles:
CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@H]1C[C@@H]1OC(=O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](C)[C@H](O)[C@]4(O)OC[C@]13[C@@H]42Aglycone:
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD07945
Formula: C20H28O8
Smiles:
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)C(O)C4(O)OCC13C42| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
