Glycoside
...
GD024066

Name:
None

Formula:
C53H50O10N3Cl

Smiles:
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-3oc2c1

Aglycone:
CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(COc5ccc(Cc6ccccc6Cl)cc5)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other 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-3oc2c1
HBA: 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

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O