Glycoside
...
GD016058

Name:
None

Formula:
C51H63O17N5S2

Smiles:
CNC(C)[C@@H]1CCC(N)[C@H](O[C@@H]2C(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C[C@H](NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O[C@@H]3OC[C@@](C)(O)C(NC)[C@H]3O)[C@H]2O)O1

Aglycone:
CNC(C)C1CCC(N)C(OC2C(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1

Sugarmoiety:
CNC1C(O)C(O)OCC1(C)O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 11 FractionCSP3: 0.49
AlogP: 2.33 Num_rotatable_bonds: 15
MolWt: 1082.22 Num_heavy_atoms: 75
TPSA: 333.09 NumAromaticRings: 4

Unique Aglycone
AD11606
Formula: C44H50O14N4S2

Smiles:
CNC(C)C1CCC(N)C(OC2C(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.41
AlogP: 3.25 Num_rotatable_bonds: 12
MolWt: 923.03 Num_heavy_atoms: 64
TPSA: 282.37 NumAromaticRings: 4

Sugarmoiety
SD00572

CNC1C(O)C(O)OCC1(C)O