Glycoside
GD118194
Name:
Naquihexcin GFormula:
C41H44O20SSmiles:
COC(=O)CC1CC2(SC34CC(CC(=O)OC)OC(C)C3(O)C(=O)c3c(OC5OC(C(=O)OC)C(O)C(O)C5O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1Aglycone:
COC(=O)CC1CC2(SC34CC(CC(=O)OC)OC(C)C3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 888.85 | Num_heavy_atoms: | 62 |
| TPSA: | 305.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD21991
Formula: C34H34O14S
Smiles:
COC(=O)CC1CC2(SC34CC(CC(=O)OC)OC(C)C3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 698.7 | Num_heavy_atoms: | 49 |
| TPSA: | 220.26 | NumAromaticRings: | 2 |
