Glycoside
GD155496
Name:
Naquihexcin HFormula:
C40H42O21SSmiles:
COC(=O)CC1CC2(SC34CC(CC(=O)OC)OC(C)C3(O)C(=O)c3c(ccc(OC5OC(C(=O)O)C(O)C(O)C5O)c3O)C4=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(ccc(O)c3O)C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 890.82 | Num_heavy_atoms: | 62 |
| TPSA: | 336.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD61684
Formula: C34H34O15S
Smiles:
COC(=O)CC1CC2(SC34CC(CC(=O)OC)OC(C)C3(O)C(=O)c3c(ccc(O)c3O)C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 714.7 | Num_heavy_atoms: | 50 |
| TPSA: | 240.49 | NumAromaticRings: | 2 |
