Glycoside
...
GD018157

Name:
None

Formula:
C62H66O23N2

Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)Cc3ccc(NC(=O)O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc3)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Aglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)Cc3ccc(NC(=O)O)cc3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 8 FractionCSP3: 0.44
AlogP: 2.97 Num_rotatable_bonds: 16
MolWt: 1207.2 Num_heavy_atoms: 87
TPSA: 372.91 NumAromaticRings: 4

Unique Aglycone
AD12860
Formula: C56H58O17N2

Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)Cc3ccc(NC(=O)O)cc3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.39
AlogP: 5.62 Num_rotatable_bonds: 14
MolWt: 1031.08 Num_heavy_atoms: 75
TPSA: 276.69 NumAromaticRings: 4

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O