Glycoside
...
GD021814

Name:
None

Formula:
C29H27O8N5

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=C(CNc2c3ccccc3nc3c2oc2ccccc23)N=N[N]1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 1 FractionCSP3: 0.31
AlogP: 3.66 Num_rotatable_bonds: 8
MolWt: 573.56 Num_heavy_atoms: 42
TPSA: 156.9 NumAromaticRings: 5

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD06477
Formula: C18H12ON5

Smiles:
C1=C(CNc2c3ccccc3nc3c2oc2ccccc23)N=N[N]1
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.06
AlogP: 4.37 Num_rotatable_bonds: 3
MolWt: 314.33 Num_heavy_atoms: 24
TPSA: 76.88 NumAromaticRings: 4

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O