Glycoside
GD038975
Name:
~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamideFormula:
C34H55O10NSmiles:
C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)CNC(C)=O)C[C@H](O)[C@@]3(C)C=C3[C@@H](CC[C@H]3COC)[C@@H](C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
C=CC(C)(C)OC.COCC1CCC2C1=CC1(C)C(=C(C(C)CNC(C)=O)CC1O)C(O)C(O)C2CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 637.81 | Num_heavy_atoms: | 45 |
| TPSA: | 167.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD23211
Formula: C6H12O
Smiles:
C=CC(C)(C)OC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD24213
Formula: C23H37O5N
Smiles:
COCC1CCC2C1=CC1(C)C(=C(C(C)CNC(C)=O)CC1O)C(O)C(O)C2C| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.55 | Num_heavy_atoms: | 29 |
| TPSA: | 99.02 | NumAromaticRings: | 0 |
