Glycoside
...
GD140401

Name:
None

Formula:
C41H47O11N5

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)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)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 8 FractionCSP3: 0.46
AlogP: -2.16 Num_rotatable_bonds: 12
MolWt: 785.85 Num_heavy_atoms: 57
TPSA: 226.06 NumAromaticRings: 2

Unique Aglycone
AD45490
Formula: C28H28O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.39
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 486.55 Num_heavy_atoms: 36
TPSA: 109.47 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