Glycoside
GD158120
Name:
isoindolinomycinFormula:
C25H26O8NClSmiles:
COC1C(O)CC(OC2c3cc4c(Cl)c5c(c(O)c4c(O)c3C(=O)CC2C)C(O)=NC5)OC1CAglycone:
CC1CC(=O)c2c(cc3c(Cl)c4c(c(O)c3c2O)C(O)=NC4)C1OSugarmoiety:
COC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 491.92 | Num_heavy_atoms: | 34 |
| TPSA: | 138.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD62441
Formula: C18H14O5NCl
Smiles:
CC1CC(=O)c2c(cc3c(Cl)c4c(c(O)c3c2O)C(O)=NC4)C1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 347.75 | Num_heavy_atoms: | 24 |
| TPSA: | 110.35 | NumAromaticRings: | 2 |
