Glycoside
...
GD127626

Name:
None

Formula:
C36H33O10N5

Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1OC1OC(C4(O)CCCC4)C(O)C(O)C1O)C(=O)c1ccccc1C3=O)CN=2

Aglycone:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2.OC1CCCC1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 7 FractionCSP3: 0.33
AlogP: -1.06 Num_rotatable_bonds: 6
MolWt: 695.69 Num_heavy_atoms: 51
TPSA: 244.71 NumAromaticRings: 4

Unique Aglycone
AD45279
Formula: C5H10O

Smiles:
OC1CCCC1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.92 Num_rotatable_bonds: 0
MolWt: 86.13 Num_heavy_atoms: 6
TPSA: 20.23 NumAromaticRings: 0
AD47204
Formula: C26H17O5N5

Smiles:
N=c1nc(O)c2c([nH]1)=[N+](c1ccccc1Cc1cc3c(c([O-])c1O)C(=O)c1ccccc1C3=O)CN=2
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.08
AlogP: 0.15 Num_rotatable_bonds: 3
MolWt: 479.45 Num_heavy_atoms: 36
TPSA: 165.56 NumAromaticRings: 4

Sugarmoiety
SD00017

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