Glycoside
...
GD115432

Name:
At2433-A3

Formula:
C34H33O9N4Cl

Smiles:
CNC1COC(OCC2OC(n3c4c(Cl)cccc4c4c5c(c6c7ccccc7[nH]c6c43)C(O)=NC5=O)C(O)C(O)C2OC)CC1O

Aglycone:
CNC1COC(OC)CC1O.O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3ccccc3c21

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

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 6 FractionCSP3: 0.39
AlogP: 2.89 Num_rotatable_bonds: 6
MolWt: 665.1 Num_heavy_atoms: 47
TPSA: 180.02 NumAromaticRings: 5

Unique Aglycone
AD02895
Formula: C7H15O3N

Smiles:
CNC1COC(OC)CC1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.67 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 50.72 NumAromaticRings: 0
AD45661
Formula: C21H10O2N3Cl

Smiles:
O=C1N=C(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3ccccc3c21
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.0
AlogP: 5.07 Num_rotatable_bonds: 0
MolWt: 359.77 Num_heavy_atoms: 26
TPSA: 81.24 NumAromaticRings: 5

Sugarmoiety
SD00685

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