Glycoside
...
GD149950

Name:
None

Formula:
C34H41O13N3

Smiles:
C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(OC4OC(C(=O)O)C(O)(CC5=NC=NC5)C(O)C4O)c(OC4(O)CCCCC4)c3O)O2)cc1

Aglycone:
CC1=NC=NC1.C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCCC4)c3O)O2)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.5
AlogP: 0.03 Num_rotatable_bonds: 12
MolWt: 699.71 Num_heavy_atoms: 50
TPSA: 243.0 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
AD59932
Formula: C24H29O7N

Smiles:
C[NH2+]CCOc1ccc(C2[CH-]C(=O)c3c(cc(O)c(OC4(O)CCCCC4)c3O)O2)cc1
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.42
AlogP: 2.22 Num_rotatable_bonds: 7
MolWt: 443.5 Num_heavy_atoms: 32
TPSA: 122.06 NumAromaticRings: 2

Sugarmoiety
SD04330

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