Glycoside
GD039838
Name:
(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triolFormula:
C27H48O8Smiles:
COC[C@@H]1CC[C@@H]2[C@@H]1C[C@]1(C)CC[C@@H](C(C)C)[C@H]1[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H]2CAglycone:
COCC1CCC2C(C)C(O)C(O)C3C(C(C)C)CCC3(C)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.67 | Num_heavy_atoms: | 35 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD24551
Formula: C21H38O3
Smiles:
COCC1CCC2C(C)C(O)C(O)C3C(C(C)C)CCC3(C)CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.53 | Num_heavy_atoms: | 24 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
