Glycoside
...
GD136593

Name:
None

Formula:
C36H44O11N4

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(OOCC(O)C(O)(CN1C=CC2=[NH+]C=CC21)C(O)C(O)CO)C3

Aglycone:
CN1C=CC2=[NH+]C=CC21.Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(O)C3

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.47
AlogP: -3.31 Num_rotatable_bonds: 14
MolWt: 708.77 Num_heavy_atoms: 51
TPSA: 213.7 NumAromaticRings: 2

Unique Aglycone
AD46673
Formula: C23H25O5N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCCO)C(O)C3
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.39
AlogP: 0.68 Num_rotatable_bonds: 4
MolWt: 409.46 Num_heavy_atoms: 30
TPSA: 97.11 NumAromaticRings: 2
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

Sugarmoiety
SD04404

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