Glycoside
...
GD003472

Name:
None

Formula:
C50H61O19N

Smiles:
CC=C(C)C(=O)N[C@H](c1ccccc1)[C@H](O)C(=O)O[C@@H]1C[C@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@@H](OC(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C

Aglycone:
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C(C)(CCC4OCC43OC(C)=O)C(=O)C(OC(C)=O)C(=C1C)C2(C)C

Sugarmoiety:
O=C(OO)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 7 FractionCSP3: 0.54
AlogP: 1.01 Num_rotatable_bonds: 15
MolWt: 980.03 Num_heavy_atoms: 70
TPSA: 308.28 NumAromaticRings: 2

Unique Aglycone
AD03161
Formula: C45H53O13N

Smiles:
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C(C)(CCC4OCC43OC(C)=O)C(=O)C(OC(C)=O)C(=C1C)C2(C)C
HBA: 14 RingCount: 6
HBD: 3 FractionCSP3: 0.51
AlogP: 4.42 Num_rotatable_bonds: 10
MolWt: 815.91 Num_heavy_atoms: 59
TPSA: 201.06 NumAromaticRings: 2

Sugarmoiety
SD00671

O=C(OO)C(O)C(O)C(O)CO