Glycoside
...
GD005866

Name:
None

Formula:
C32H27O6N5Cl2

Smiles:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n12)C(=Cc1ccc(Cl)cc1)CCC3

Aglycone:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3

Sugarmoiety:
OCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 6 FractionCSP3: 0.27
AlogP: 2.92 Num_rotatable_bonds: 7
MolWt: 624.48 Num_heavy_atoms: 43
TPSA: 177.09 NumAromaticRings: 5

Unique Aglycone
AD01011
Formula: C27H17ON5Cl2

Smiles:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.12
AlogP: 5.82 Num_rotatable_bonds: 2
MolWt: 474.35 Num_heavy_atoms: 33
TPSA: 75.94 NumAromaticRings: 5

Sugarmoiety
SD00084

OCC(O)C(O)C(O)C(O)O