Glycoside
...
GD032207

Name:
None

Formula:
C44H44O14N8Cl2

Smiles:
CC(O)[C@H](NC(=O)[C@@H](O)[C@@H](O)C(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl

Aglycone:
CC(O)C(N)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.CC(O)C(N)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 10 FractionCSP3: 0.29
AlogP: 1.3 Num_rotatable_bonds: 21
MolWt: 955.76 Num_heavy_atoms: 66
TPSA: 341.8 NumAromaticRings: 4

Unique Aglycone
AD20678
Formula: C20H21O5N4Cl

Smiles:
CC(O)C(N)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
HBA: 9 RingCount: 2
HBD: 5 FractionCSP3: 0.26
AlogP: 1.62 Num_rotatable_bonds: 8
MolWt: 420.85 Num_heavy_atoms: 29
TPSA: 147.59 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O