Glycoside
...
GD004757

Name:
None

Formula:
C55H60O11N3ClS

Smiles:
CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4cc([C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)ccc4Cl)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C

Aglycone:
CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4ccccc4Cl)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C

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

Other Identifiers

Properties
HBA: 14 RingCount: 10
HBD: 5 FractionCSP3: 0.44
AlogP: 5.8 Num_rotatable_bonds: 13
MolWt: 994.6 Num_heavy_atoms: 70
TPSA: 201.16 NumAromaticRings: 4

Unique Aglycone
AD04112
Formula: C49H50O6N3ClS

Smiles:
CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4ccccc4Cl)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C
HBA: 9 RingCount: 9
HBD: 1 FractionCSP3: 0.38
AlogP: 8.28 Num_rotatable_bonds: 11
MolWt: 832.46 Num_heavy_atoms: 59
TPSA: 111.01 NumAromaticRings: 4

Sugarmoiety
SD00003

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