Glycoside
...
GD012790

Name:
None

Formula:
C29H35O9N2Cl

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

Aglycone:
Cc1c(O)ccc2c(OCCN(C)C)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: 11 RingCount: 4
HBD: 2 FractionCSP3: 0.5
AlogP: 3.45 Num_rotatable_bonds: 9
MolWt: 579.05 Num_heavy_atoms: 40
TPSA: 132.69 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
AD09605
Formula: C15H16O4NCl

Smiles:
Cc1c(O)ccc2c(OCCN(C)C)c(Cl)c(=O)oc12
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.36
AlogP: 2.4 Num_rotatable_bonds: 4
MolWt: 297.74 Num_heavy_atoms: 20
TPSA: 62.91 NumAromaticRings: 2

Sugarmoiety
SD00066

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