Glycoside
...
GD023241

Name:
None

Formula:
C41H43O19N

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)OCc2ccc(O)cc2)C(O)C(C)O1

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 9 FractionCSP3: 0.44
AlogP: 0.27 Num_rotatable_bonds: 10
MolWt: 853.78 Num_heavy_atoms: 61
TPSA: 314.6 NumAromaticRings: 3

Unique Aglycone
AD10880
Formula: C35H35O13N

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)OCc2ccc(O)cc2)C(O)C(C)O1
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.37
AlogP: 2.7 Num_rotatable_bonds: 7
MolWt: 677.66 Num_heavy_atoms: 49
TPSA: 218.38 NumAromaticRings: 3

Sugarmoiety
SD00030

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