Glycoside
...
GD124449

Name:
None

Formula:
C34H39O11N4

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.44
AlogP: -1.26 Num_rotatable_bonds: 11
MolWt: 679.7 Num_heavy_atoms: 49
TPSA: 212.09 NumAromaticRings: 2

Unique Aglycone
AD50271
Formula: C7H9ON2

Smiles:
CN1C(O)=CC2=[NH+]C=CC21
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -1.25 Num_rotatable_bonds: 0
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 37.44 NumAromaticRings: 0
AD50272
Formula: C21H20O4N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=C5C4)c2o1)OC(C)(C)C(O)C3
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.33
AlogP: 2.85 Num_rotatable_bonds: 1
MolWt: 364.4 Num_heavy_atoms: 27
TPSA: 75.27 NumAromaticRings: 2

Sugarmoiety
SD04404

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