Glycoside
...
GD008316

Name:
None

Formula:
C42H44O22N2

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NC(=O)OCc2ccc(O[C@@H]3O[C@H](CC(=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(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1

Sugarmoiety:
O=C(O)CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 10 FractionCSP3: 0.45
AlogP: -0.46 Num_rotatable_bonds: 13
MolWt: 928.81 Num_heavy_atoms: 66
TPSA: 377.97 NumAromaticRings: 3

Unique Aglycone
AD06652
Formula: C35H34O16N2

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1
HBA: 18 RingCount: 6
HBD: 7 FractionCSP3: 0.37
AlogP: 1.58 Num_rotatable_bonds: 9
MolWt: 738.66 Num_heavy_atoms: 53
TPSA: 281.75 NumAromaticRings: 3

Sugarmoiety
SD01345

O=C(O)CC1OC(O)C(O)C(O)C1O