Glycoside
...
GD112558

Name:
None

Formula:
C34H28O13NCl

Smiles:
CC(=O)C[C@@H]1O[C@H](Oc2c3c(c(Cl)c4cccc([N+](=O)[O-])c24)C(=O)c2cc(C)ccc2C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
Cc1ccc2c(c1)C(=O)c1c(c(O)c3c([N+](=O)[O-])cccc3c1Cl)C2=O

Sugarmoiety:
CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.33
AlogP: 4.36 Num_rotatable_bonds: 8
MolWt: 682.03 Num_heavy_atoms: 48
TPSA: 191.71 NumAromaticRings: 3

Unique Aglycone
AD44777
Formula: C20H10O5NCl

Smiles:
Cc1ccc2c(c1)C(=O)c1c(c(O)c3c([N+](=O)[O-])cccc3c1Cl)C2=O
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.05
AlogP: 4.19 Num_rotatable_bonds: 1
MolWt: 367.74 Num_heavy_atoms: 26
TPSA: 97.51 NumAromaticRings: 3

Sugarmoiety
SD00261

CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O