Glycoside
...
GD011162

Name:
None

Formula:
C27H29O7N2Cl

Smiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CNNC(=O)c4ccco4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

Aglycone:
CCOc1ccc(Cc2ccccc2Cl)cc1.CNNC(=O)c1ccco1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.38 Num_rotatable_bonds: 9
MolWt: 516.98 Num_heavy_atoms: 36
TPSA: 133.42 NumAromaticRings: 3

Unique Aglycone
AD00288
Formula: C16H15OCl

Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 4.33 Num_rotatable_bonds: 4
MolWt: 246.74 Num_heavy_atoms: 17
TPSA: 9.23 NumAromaticRings: 2
AD08555
Formula: C6H8O2N2

Smiles:
CNNC(=O)c1ccco1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.14 Num_rotatable_bonds: 2
MolWt: 140.14 Num_heavy_atoms: 10
TPSA: 54.27 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O