Glycoside
...
GD119405

Name:
None

Formula:
C45H49O13N4

Smiles:
CCc1cc(O)cc(COc2c(OC3OC(C(=O)O)C(O)(C4(C5=NC=NC5)CCCCC4)C(O)C3O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1

Aglycone:
C1=NCC(C2CCCCC2)=N1.CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=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: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.4
AlogP: 4.57 Num_rotatable_bonds: 14
MolWt: 853.9 Num_heavy_atoms: 62
TPSA: 267.93 NumAromaticRings: 3

Unique Aglycone
AD47831
Formula: C9H14N2

Smiles:
C1=NCC(C2CCCCC2)=N1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.78
AlogP: 2.05 Num_rotatable_bonds: 1
MolWt: 150.22 Num_heavy_atoms: 11
TPSA: 24.72 NumAromaticRings: 0
AD47832
Formula: C30H29O7N2

Smiles:
CCc1cc(O)cc(COc2c(O)cc3c(c2O)C(O)=CC(c2ccc(OCCC4=NC(N)=C[CH+]4)cc2)O3)c1
HBA: 9 RingCount: 5
HBD: 6 FractionCSP3: 0.2
AlogP: 5.21 Num_rotatable_bonds: 9
MolWt: 529.57 Num_heavy_atoms: 39
TPSA: 146.99 NumAromaticRings: 3

Sugarmoiety
SD04330

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