Glycoside
...
GD014849

Name:
None

Formula:
C41H45O18N

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](CO)[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:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 9 FractionCSP3: 0.46
AlogP: 0.18 Num_rotatable_bonds: 10
MolWt: 839.8 Num_heavy_atoms: 60
TPSA: 297.53 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
SD00003

OCC1OC(O)C(O)C(O)C1O