Glycoside
...
GD005957

Name:
None

Formula:
C54H52O10N3Cl

Smiles:
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-])c1

Aglycone:
CN(Cc1ccc(COc2ccc(Cc3ccccc3Cl)cc2)cc1)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1

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

Other 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-])c1
HBA: 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

Sugarmoiety
SD00003

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