Glycoside
GD107053
Name:
5'-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.0¹,¹³.0²,â·]heptadecane]-3-carboxylic acidFormula:
C32H42O14Smiles:
CC1(C)O[C@H]2CC(=O)OC[C@]23[C@@H]2CC[C@@](C)([C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c4ccoc4)[C@@]4(O[C@@H]4C(=O)O)[C@]2(C)C(=O)C[C@@H]13Aglycone:
CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 650.67 | Num_heavy_atoms: | 46 |
| TPSA: | 214.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD21912
Formula: C26H32O9
Smiles:
CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C3CCC(C)(C(O)c2ccoc2)C12OC2C(=O)O| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.53 | Num_heavy_atoms: | 35 |
| TPSA: | 135.8 | NumAromaticRings: | 1 |
