Glycoside
...
GD078601

Name:
None

Formula:
C18H20O5N3Cl

Smiles:
Cc1cc(-c2ccc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)ccc1Cl

Aglycone:
Cc1cc(-c2ccc(N)nn2)ccc1Cl

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.41
AlogP: 0.32 Num_rotatable_bonds: 4
MolWt: 381.82 Num_heavy_atoms: 26
TPSA: 127.96 NumAromaticRings: 2

Unique Aglycone
AD36119
Formula: C12H10N3Cl

Smiles:
Cc1cc(-c2ccc(N)nn2)ccc1Cl
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.69 Num_rotatable_bonds: 1
MolWt: 219.68 Num_heavy_atoms: 15
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O