Glycoside
...
GD114986

Name:
None

Formula:
C41H43O15N4

Smiles:
CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(CC4=NC=NC4)C(O)C3O)cc3c(c2O)C(O)=CC(c2ccc(OC(CO)C(O)C4=NC(N)=C[CH+]4)cc2)O3)c1

Aglycone:
CC1=NC=NC1.CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OC(CO)C(O)C4=NC(N)=C[CH+]4)cc2)O3)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.34
AlogP: 1.35 Num_rotatable_bonds: 15
MolWt: 831.81 Num_heavy_atoms: 60
TPSA: 308.39 NumAromaticRings: 3

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
AD45399
Formula: C31H31O9N2

Smiles:
CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OC(CO)C(O)C4=NC(N)=C[CH+]4)cc2)O3)c1
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.23
AlogP: 3.54 Num_rotatable_bonds: 10
MolWt: 575.59 Num_heavy_atoms: 42
TPSA: 187.45 NumAromaticRings: 3

Sugarmoiety
SD04330

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