Glycoside
...
GD024243

Name:
None

Formula:
C31H37O10N2Cl

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCN4CCOCC4)c(Cl)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(OCCN3CCOCC3)c(Cl)c(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 2 FractionCSP3: 0.53
AlogP: 3.22 Num_rotatable_bonds: 9
MolWt: 621.08 Num_heavy_atoms: 43
TPSA: 141.92 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD16201
Formula: C17H18O5NCl

Smiles:
Cc1c(O)ccc2c(OCCN3CCOCC3)c(Cl)c(=O)oc12
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 2.17 Num_rotatable_bonds: 4
MolWt: 339.77 Num_heavy_atoms: 23
TPSA: 72.14 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C