Glycoside
GD032847
Name:
NoneFormula:
C43H72O13NClSmiles:
CCCO[C@H]1[C@H](O[C@H]2[C@H](CCCl)C[C@@H](C)C(=O)C=CC(C)=C[C@@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@H]2C)O[C@@H](C)[C@@H](O)[C@H]1N(C)CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CCCOC1C(O)OC(C)C(O)C1N(C)C.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 834.49 | Num_heavy_atoms: | 57 |
| TPSA: | 171.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01591
Formula: C24H37O6Cl
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.0 | Num_heavy_atoms: | 30 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
