Glycoside
...
GD005885

Name:
NEOCARZINOSTATIN

Formula:
C35H33O11N

Smiles:
CN[C@@H]1[C@H](O[C@@H]2C3=CC#C[C@@H]4O[C@@]4([C@@H]4COC(=O)O4)C#CC3=C[C@H]2OC(=O)c2cccc3c(C)cc(OC)cc23)O[C@H](C)[C@H](O)[C@H]1O

Aglycone:
COc1cc(C)c2cccc(C(=O)OC3C=C4C#CC5(C6COC(=O)O6)OC5C#CC=C4C3O)c2c1

Sugarmoiety:
CNC1C(O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 3 FractionCSP3: 0.43
AlogP: 1.68 Num_rotatable_bonds: 7
MolWt: 643.65 Num_heavy_atoms: 47
TPSA: 154.54 NumAromaticRings: 2

Unique Aglycone
AD04933
Formula: C28H20O8

Smiles:
COc1cc(C)c2cccc(C(=O)OC3C=C4C#CC5(C6COC(=O)O6)OC5C#CC=C4C3O)c2c1
HBA: 8 RingCount: 6
HBD: 1 FractionCSP3: 0.29
AlogP: 2.6 Num_rotatable_bonds: 4
MolWt: 484.46 Num_heavy_atoms: 36
TPSA: 103.82 NumAromaticRings: 2

Sugarmoiety
SD00861

CNC1C(O)OC(C)C(O)C1O