Glycoside
...
GD127210

Name:
None

Formula:
C36H44O10N4

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1C=CC3=[NH+]C=CC31)C(O)C(O)CO)C(C)(C)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2.CN1C=CC2=[NH+]C=CC21

Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COO

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.47
AlogP: -2.28 Num_rotatable_bonds: 12
MolWt: 692.77 Num_heavy_atoms: 50
TPSA: 193.47 NumAromaticRings: 2

Unique Aglycone
AD47386
Formula: C7H9N2

Smiles:
CN1C=CC2=[NH+]C=CC21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -1.14 Num_rotatable_bonds: 0
MolWt: 121.16 Num_heavy_atoms: 9
TPSA: 17.21 NumAromaticRings: 0
AD51509
Formula: C23H25O4N2

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.39
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 393.46 Num_heavy_atoms: 29
TPSA: 76.88 NumAromaticRings: 2

Sugarmoiety
SD04404

OCC(O)C(O)C(O)(O)C(O)COO