Glycoside

GD005957
Name:
NoneFormula:
C54H52O10N3ClSmiles:
CN(Cc1ccc(COc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)cc1)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1Aglycone:
CN(Cc1ccc(COc2ccc(Cc3ccccc3Cl)cc2)cc1)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 8 |
HBD: | 4 | FractionCSP3: | 0.26 |
AlogP: | 5.28 | Num_rotatable_bonds: | 13 |
MolWt: | 926.46 | Num_heavy_atoms: | 67 |
TPSA: | 179.21 | NumAromaticRings: | 5 |
Unique Aglycone
AD04977
Formula: C48H42O5N3Cl
Smiles:
CN(Cc1ccc(COc2ccc(Cc3ccccc3Cl)cc2)cc1)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1HBA: | 8 | RingCount: | 7 |
HBD: | 0 | FractionCSP3: | 0.17 |
AlogP: | 7.76 | Num_rotatable_bonds: | 11 |
MolWt: | 764.32 | Num_heavy_atoms: | 56 |
TPSA: | 89.06 | NumAromaticRings: | 5 |