Glycoside

GD024066
Name:
NoneFormula:
C53H50O10N3ClSmiles:
CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(COc5ccc(Cc6cc([C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)ccc6Cl)cc5)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1Aglycone:
CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(COc5ccc(Cc6ccccc6Cl)cc5)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 8 |
HBD: | 5 | FractionCSP3: | 0.25 |
AlogP: | 4.93 | Num_rotatable_bonds: | 13 |
MolWt: | 912.44 | Num_heavy_atoms: | 66 |
TPSA: | 188.0 | NumAromaticRings: | 5 |
Unique Aglycone
AD16109
Formula: C47H40O5N3Cl
Smiles:
CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(COc5ccc(Cc6ccccc6Cl)cc5)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1HBA: | 8 | RingCount: | 7 |
HBD: | 1 | FractionCSP3: | 0.15 |
AlogP: | 7.42 | Num_rotatable_bonds: | 11 |
MolWt: | 750.3 | Num_heavy_atoms: | 55 |
TPSA: | 97.85 | NumAromaticRings: | 5 |