Glycoside
...
GD124879

Name:
At2433-A2

Formula:
C34H33O9N4Cl

Smiles:
COC1C(COC2CC(O)C(N)CO2)OC(n2c3c(Cl)cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)C(O)C1O

Aglycone:
CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O.COC1CC(O)C(N)CO1

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

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 6 FractionCSP3: 0.39
AlogP: 2.39 Num_rotatable_bonds: 5
MolWt: 665.1 Num_heavy_atoms: 47
TPSA: 181.73 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
AD46574
Formula: C6H13O3N

Smiles:
COC1CC(O)C(N)CO1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.93 Num_rotatable_bonds: 1
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 64.71 NumAromaticRings: 0

Sugarmoiety
SD00685

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