Glycoside
...
GD011216

Name:
None

Formula:
C41H42O21N2

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@H](C(=O)CO)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)c([N+](=O)[O-])c2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1

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

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 9 FractionCSP3: 0.44
AlogP: 0.03 Num_rotatable_bonds: 12
MolWt: 898.78 Num_heavy_atoms: 64
TPSA: 357.74 NumAromaticRings: 3

Unique Aglycone
AD08594
Formula: C35H34O15N2

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1
HBA: 17 RingCount: 6
HBD: 6 FractionCSP3: 0.37
AlogP: 2.47 Num_rotatable_bonds: 9
MolWt: 722.66 Num_heavy_atoms: 52
TPSA: 261.52 NumAromaticRings: 3

Sugarmoiety
SD00030

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