Glycoside
...
GD003152

Name:
At2433-A1

Formula:
C35H35O9N4Cl

Smiles:
CN[C@@H]1CO[C@H](OC[C@@H]2O[C@H](n3c4c(Cl)cccc4c4c5c(c6c7ccccc7[nH]c6c43)C(=O)N(C)C5=O)[C@H](O)[C@H](O)[C@H]2OC)C[C@H]1O

Aglycone:
CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O.CNC1COC(OC)CC1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 5 FractionCSP3: 0.41
AlogP: 2.65 Num_rotatable_bonds: 6
MolWt: 679.13 Num_heavy_atoms: 48
TPSA: 167.74 NumAromaticRings: 5

Unique Aglycone
AD02894
Formula: C22H12O2N3Cl

Smiles:
CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.05
AlogP: 4.83 Num_rotatable_bonds: 0
MolWt: 373.8 Num_heavy_atoms: 27
TPSA: 68.96 NumAromaticRings: 5
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

Sugarmoiety
SD00685

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