Glycoside
...
GD112553

Name:
None

Formula:
C35H35O7N4Cl2

Smiles:
CC[NH+](CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O

Aglycone:
CC[NH+](CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O

Sugarmoiety:
COC1C(CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 5 FractionCSP3: 0.39
AlogP: 2.88 Num_rotatable_bonds: 8
MolWt: 670.57 Num_heavy_atoms: 46
TPSA: 141.69 NumAromaticRings: 5

Unique Aglycone
AD44776
Formula: C28H23O2N4Cl2

Smiles:
CC[NH+](CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.23
AlogP: 4.78 Num_rotatable_bonds: 5
MolWt: 494.4 Num_heavy_atoms: 34
TPSA: 73.4 NumAromaticRings: 5

Sugarmoiety
SD00246

COC1C(CO)OC(O)C(O)C1O