Glycoside
...
GD139439

Name:
None

Formula:
C34H38O12N5

Smiles:
CNCCOc1c(OC2OC(C(=O)O)C(O)(CC3=NC=NC3)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2

Aglycone:
CC1=NC=NC1.CNCCOc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 9 FractionCSP3: 0.38
AlogP: 0.77 Num_rotatable_bonds: 14
MolWt: 708.7 Num_heavy_atoms: 51
TPSA: 259.73 NumAromaticRings: 2

Unique Aglycone
AD44952
Formula: C4H6N2

Smiles:
CC1=NC=NC1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 0.49 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 24.72 NumAromaticRings: 0
AD56229
Formula: C24H26O6N3

Smiles:
CNCCOc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.25
AlogP: 2.96 Num_rotatable_bonds: 9
MolWt: 452.49 Num_heavy_atoms: 33
TPSA: 138.79 NumAromaticRings: 2

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O