Glycoside
...
GD032963

Name:
None

Formula:
C24H22O7N3Cl

Smiles:
O=C(Nc1c(O)c2ccccc2oc1=O)[C@H](O)[C@H](O)C(=O)N1CCN(c2ccc(Cl)cc2)CC1

Aglycone:
Clc1ccc(N2CCNCC2)cc1.Nc1c(O)c2ccccc2oc1=O

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.26
AlogP: 1.16 Num_rotatable_bonds: 5
MolWt: 487.9 Num_heavy_atoms: 34
TPSA: 143.55 NumAromaticRings: 3

Unique Aglycone
AD21075
Formula: C11H13N2Cl

Smiles:
Clc1ccc(N2CCNCC2)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.4
AlogP: 1.75 Num_rotatable_bonds: 1
MolWt: 196.68 Num_heavy_atoms: 13
TPSA: 15.27 NumAromaticRings: 1
AD21076
Formula: C9H7O3N

Smiles:
Nc1c(O)c2ccccc2oc1=O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 1.08 Num_rotatable_bonds: 0
MolWt: 177.16 Num_heavy_atoms: 13
TPSA: 76.46 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O