Glycoside
GD021974
Name:
NoneFormula:
C39H60O15Smiles:
CCCCCCCCCC(=O)O[C@@H]1C=C2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]23[C@H](OC2OC[C@H](O)[C@H](O)[C@H]2O)C[C@H](C)[C@](C)(C[C@H](O)C2=CCOOC2)[C@H]3C1Aglycone:
CCCCCCCCCC(=O)OC1C=C2C(OC(C)=O)OC(OC(C)=O)C23C(O)CC(C)C(C)(CC(O)C2=CCOOC2)C3C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 16 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 205.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD14952
Formula: C34H52O11
Smiles:
CCCCCCCCCC(=O)OC1C=C2C(OC(C)=O)OC(OC(C)=O)C23C(O)CC(C)C(C)(CC(O)C2=CCOOC2)C3C1| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 14 |
| MolWt: | 636.78 | Num_heavy_atoms: | 45 |
| TPSA: | 147.05 | NumAromaticRings: | 0 |
