Glycoside
GD150535
Name:
NaphthomycinosideFormula:
C46H58O14NClSmiles:
CC(=CC(C)C(O)C(C)C=CC(O)CC=C(C)C(=O)CC(O)C(C)C=CC=CC=CC(O)=Nc1c(Cl)c(OC2OC(C)C(O)C(O)C2O)c2cc(O)c(C)cc2c1O)C(=O)OAglycone:
CC(=CC(C)C(O)C(C)C=CC(O)CC=C(C)C(=O)CC(O)C(C)C=CC=CC=CC(O)=Nc1c(Cl)c(O)c2cc(O)c(C)cc2c1O)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 19 |
| MolWt: | 872.41 | Num_heavy_atoms: | 61 |
| TPSA: | 267.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD60119
Formula: C40H48O10NCl
Smiles:
CC(=CC(C)C(O)C(C)C=CC(O)CC=C(C)C(=O)CC(O)C(C)C=CC=CC=CC(O)=Nc1c(Cl)c(O)c2cc(O)c(C)cc2c1O)C(=O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 7.05 | Num_rotatable_bonds: | 17 |
| MolWt: | 726.26 | Num_heavy_atoms: | 51 |
| TPSA: | 208.34 | NumAromaticRings: | 2 |
