Glycoside
GD152893
Name:
Platencin A9Formula:
C32H43O11NSSmiles:
C=C1CC2(C=CC(=O)C(C)(C)CCC(O)=Nc3c(OC4OC(CO)C(O)C(O)C4O)ccc(C(=O)SC)c3O)CCC1CC2OAglycone:
C=C1CC2(C=CC(=O)C(C)(C)CCC(O)=Nc3c(O)ccc(C(=O)SC)c3O)CCC1CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 649.76 | Num_heavy_atoms: | 45 |
| TPSA: | 206.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD60837
Formula: C26H33O6NS
Smiles:
C=C1CC2(C=CC(=O)C(C)(C)CCC(O)=Nc3c(O)ccc(C(=O)SC)c3O)CCC1CC2O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.62 | Num_heavy_atoms: | 34 |
| TPSA: | 127.42 | NumAromaticRings: | 1 |
