Glycoside
...
GD134168

Name:
None

Formula:
C44H44O13N7

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3OCCc3cc[nH]c(=[NH2+])c3)C(=O)c3cc(CO)ccc3C4=O)C2=N1

Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1.[NH2+]=c1cc(CCO)cc[nH]1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.32
AlogP: -1.17 Num_rotatable_bonds: 16
MolWt: 878.87 Num_heavy_atoms: 64
TPSA: 315.06 NumAromaticRings: 4

Unique Aglycone
AD46292
Formula: C31H25O8N5

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.19
AlogP: 2.1 Num_rotatable_bonds: 9
MolWt: 595.57 Num_heavy_atoms: 44
TPSA: 205.53 NumAromaticRings: 3
AD53791
Formula: C7H11ON2

Smiles:
[NH2+]=c1cc(CCO)cc[nH]1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.29
AlogP: -1.79 Num_rotatable_bonds: 2
MolWt: 139.18 Num_heavy_atoms: 10
TPSA: 61.61 NumAromaticRings: 1

Sugarmoiety
SD00003

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