Glycoside
...
GD125504

Name:
None

Formula:
C36H39O12N4

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC5CCCC5)c4O)O3)cc2)=N1

Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.42
AlogP: 2.49 Num_rotatable_bonds: 12
MolWt: 719.72 Num_heavy_atoms: 52
TPSA: 247.7 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
AD50757
Formula: C26H27O6N2

Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.31
AlogP: 4.68 Num_rotatable_bonds: 7
MolWt: 463.51 Num_heavy_atoms: 34
TPSA: 126.76 NumAromaticRings: 2

Sugarmoiety
SD04330

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