Glycoside
GD105249
Name:
VirenomycinFormula:
C27H28O9Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](O)[C@](C)(O)[C@H]3O)ccc(O)c12Aglycone:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2cccc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(C)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 496.51 | Num_heavy_atoms: | 36 |
| TPSA: | 138.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD02062
Formula: C20H16O5
Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2cccc(O)c12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.34 | Num_heavy_atoms: | 25 |
| TPSA: | 68.9 | NumAromaticRings: | 4 |
